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

Systemtic Name: N-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-[2-(4-oxidanylpiperidin-1-yl)ethylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]isoquinoline-3-carboxamide Openeye Name: N-[5-[[5-[[5-[2-(4-hydroxy-1-piperidyl)ethylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]isoquinoline-3-carboxamide CAS Name: N-[5-[[[5-[[[5-[[2-(4-hydroxy-1-piperidinyl)ethylamino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-3-isoquinolinecarboxamide IUPAC Name: N-[5-[[5-[[5-[2-(4-hydroxypiperidin-1-yl)ethylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]isoquinoline-3-carboxamide Traditional Name: N-[5-[[5-[[5-[2-(4-hydroxypiperidino)ethylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]isoquinoline-3-carboxamide Formula: C35H39N9O5 MolecularWeight: 665.74146

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCN4CCC(CC4)O)C)C)NC(=O)C5=CC6=CC=CC=C6C=N5

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCN4CCC(CC4)O)C)C)NC(=O)C5=CC6=CC=CC=C6C=N5

InChI

InChI=1S/C35H39N9O5/c1-41-20-25(15-29(41)33(47)36-10-13-44-11-8-27(45)9-12-44)39-35(49)31-17-26(21-43(31)3)40-34(48)30-16-24(19-42(30)2)38-32(46)28-14-22-6-4-5-7-23(22)18-37-28/h4-7,14-21,27,45H,8-13H2,1-3H3,(H,36,47)(H,38,46)(H,39,49)(H,40,48)