4-[1-(1H-imidazol-5-ylmethyl)-5-methyl-4-(4-methylpiperazin-1-yl)carbonyl-3-naphthalen-1-yl-pyrrol-2-yl]-N-methyl-N-(phenylmethyl)piperidine-1-carboxamide

Systemtic Name: 4-[1-(1H-imidazol-5-ylmethyl)-5-methyl-4-(4-methylpiperazin-1-yl)carbonyl-3-naphthalen-1-yl-pyrrol-2-yl]-N-methyl-N-(phenylmethyl)piperidine-1-carboxamide Openeye Name: N-benzyl-4-[1-(1H-imidazol-5-ylmethyl)-5-methyl-4-(4-methylpiperazine-1-carbonyl)-3-(1-naphthyl)pyrrol-2-yl]-N-methyl-piperidine-1-carboxamide CAS Name: 4-[1-(1H-imidazol-5-ylmethyl)-5-methyl-4-[(4-methyl-1-piperazinyl)-oxomethyl]-3-(1-naphthalenyl)-2-pyrrolyl]-N-methyl-N-(phenylmethyl)-1-piperidinecarboxamide IUPAC Name: N-benzyl-4-[1-(1H-imidazol-5-ylmethyl)-5-methyl-4-(4-methylpiperazine-1-carbonyl)-3-naphthalen-1-ylpyrrol-2-yl]-N-methylpiperidine-1-carboxamide Traditional Name: N-benzyl-4-[1-(1H-imidazol-5-ylmethyl)-5-methyl-4-(4-methylpiperazine-1-carbonyl)-3-(1-naphthyl)pyrrol-2-yl]-N-methyl-piperidine-1-carboxamide Formula: C39H45N7O2 MolecularWeight: 643.8203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CN=CN2)C3CCN(CC3)C(=O)N(C)CC4=CC=CC=C4)C5=CC=CC6=CC=CC=C65)C(=O)N7CCN(CC7)C

Isomeric SMILES

CC1=C(C(=C(N1CC2=CN=CN2)C3CCN(CC3)C(=O)N(C)CC4=CC=CC=C4)C5=CC=CC6=CC=CC=C65)C(=O)N7CCN(CC7)C

InChI

InChI=1S/C39H45N7O2/c1-28-35(38(47)44-22-20-42(2)21-23-44)36(34-15-9-13-30-12-7-8-14-33(30)34)37(46(28)26-32-24-40-27-41-32)31-16-18-45(19-17-31)39(48)43(3)25-29-10-5-4-6-11-29/h4-15,24,27,31H,16-23,25-26H2,1-3H3,(H,40,41)