(4S,4aS,5aR,12aS)-4-(dimethylamino)-10,12a-bis(oxidanyl)-1,3,11,12-tetrakis(oxidanylidene)-7-[4-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

Systemtic Name: (4S,4aS,5aR,12aS)-4-(dimethylamino)-10,12a-bis(oxidanyl)-1,3,11,12-tetrakis(oxidanylidene)-7-[4-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide Openeye Name: (4S,4aS,5aR,12aS)-4-(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-7-[4-(pyrrolidin-1-ylmethyl)-1-naphthyl]-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide CAS Name: (4S,4aS,5aR,12aS)-4-(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-7-[4-(1-pyrrolidinylmethyl)-1-naphthalenyl]-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide IUPAC Name: (4S,4aS,5aR,12aS)-4-(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-7-[4-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide Traditional Name: (4S,4aS,5aR,12aS)-4-(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraketo-7-[4-(pyrrolidinomethyl)-1-naphthyl]-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide Formula: C36H37N3O7 MolecularWeight: 623.69488

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3CC4=C(C=CC(=C4C(=O)C3C(=O)C2(C(=O)C(C1=O)C(=O)N)O)O)C5=CC=C(C6=CC=CC=C65)CN7CCCC7

Isomeric SMILES

CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=O)C3C(=O)[C@@]2(C(=O)C(C1=O)C(=O)N)O)O)C5=CC=C(C6=CC=CC=C65)CN7CCCC7

InChI

InChI=1S/C36H37N3O7/c1-38(2)30-25-16-19-15-24-23(22-10-9-18(17-39-13-5-6-14-39)20-7-3-4-8-21(20)22)11-12-26(40)28(24)31(41)27(19)33(43)36(25,46)34(44)29(32(30)42)35(37)45/h3-4,7-12,19,25,27,29-30,40,46H,5-6,13-17H2,1-2H3,(H2,37,45)/t19-,25-,27?,29?,30-,36-/m0/s1