5-azanyl-N-[1-methyl-5-[[4-[[1-methyl-2-[2-(4-oxidanylpiperidin-1-yl)ethylcarbamoyl]imidazol-4-yl]carbamoyl]phenyl]carbamoyl]pyrrol-3-yl]isoquinoline-3-carboxamide

Systemtic Name: 5-azanyl-N-[1-methyl-5-[[4-[[1-methyl-2-[2-(4-oxidanylpiperidin-1-yl)ethylcarbamoyl]imidazol-4-yl]carbamoyl]phenyl]carbamoyl]pyrrol-3-yl]isoquinoline-3-carboxamide Openeye Name: 5-amino-N-[5-[[4-[[2-[2-(4-hydroxy-1-piperidyl)ethylcarbamoyl]-1-methyl-imidazol-4-yl]carbamoyl]phenyl]carbamoyl]-1-methyl-pyrrol-3-yl]isoquinoline-3-carboxamide CAS Name: 5-amino-N-[5-[[4-[[[2-[[2-(4-hydroxy-1-piperidinyl)ethylamino]-oxomethyl]-1-methyl-4-imidazolyl]amino]-oxomethyl]anilino]-oxomethyl]-1-methyl-3-pyrrolyl]-3-isoquinolinecarboxamide IUPAC Name: 5-amino-N-[5-[[4-[[2-[2-(4-hydroxypiperidin-1-yl)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]phenyl]carbamoyl]-1-methylpyrrol-3-yl]isoquinoline-3-carboxamide Traditional Name: 5-amino-N-[5-[[4-[[2-[2-(4-hydroxypiperidino)ethylcarbamoyl]-1-methyl-imidazol-4-yl]carbamoyl]phenyl]carbamoyl]-1-methyl-pyrrol-3-yl]isoquinoline-3-carboxamide Formula: C35H38N10O5 MolecularWeight: 678.74022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)NC3=CN(C(=N3)C(=O)NCCN4CCC(CC4)O)C)NC(=O)C5=NC=C6C=CC=C(C6=C5)N

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)NC3=CN(C(=N3)C(=O)NCCN4CCC(CC4)O)C)NC(=O)C5=NC=C6C=CC=C(C6=C5)N

InChI

InChI=1S/C35H38N10O5/c1-43-19-24(40-33(48)28-17-26-22(18-38-28)4-3-5-27(26)36)16-29(43)34(49)39-23-8-6-21(7-9-23)32(47)42-30-20-44(2)31(41-30)35(50)37-12-15-45-13-10-25(46)11-14-45/h3-9,16-20,25,46H,10-15,36H2,1-2H3,(H,37,50)(H,39,49)(H,40,48)(H,42,47)