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: 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: 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: 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: 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: 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: C35H37N9O5 MolecularWeight: 663.72558

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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=CC6=CC=CC=C6C=N5

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=CC6=CC=CC=C6C=N5

InChI

InChI=1S/C35H37N9O5/c1-42-20-26(39-33(47)28-17-23-5-3-4-6-24(23)19-37-28)18-29(42)34(48)38-25-9-7-22(8-10-25)32(46)41-30-21-43(2)31(40-30)35(49)36-13-16-44-14-11-27(45)12-15-44/h3-10,17-21,27,45H,11-16H2,1-2H3,(H,36,49)(H,38,48)(H,39,47)(H,41,46)