4-(1,5-dimethyl-2-phenyl-indol-3-yl)carbonyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 4-(1,5-dimethyl-2-phenyl-indol-3-yl)carbonyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide Openeye Name: 4-(1,5-dimethyl-2-phenyl-indole-3-carbonyl)-2-piperazin-1-yl-N-(2-thienylmethyl)pyridine-3-carboxamide CAS Name: 4-[(1,5-dimethyl-2-phenyl-3-indolyl)-oxomethyl]-2-(1-piperazinyl)-N-(thiophen-2-ylmethyl)-3-pyridinecarboxamide IUPAC Name: 4-(1,5-dimethyl-2-phenylindole-3-carbonyl)-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide Traditional Name: 4-(1,5-dimethyl-2-phenyl-indole-3-carbonyl)-2-piperazino-N-(2-thenyl)nicotinamide Formula: C32H31N5O2S MolecularWeight: 549.68584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C(=O)C3=C(C(=NC=C3)N4CCNCC4)C(=O)NCC5=CC=CS5)C6=CC=CC=C6)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C(=O)C3=C(C(=NC=C3)N4CCNCC4)C(=O)NCC5=CC=CS5)C6=CC=CC=C6)C

InChI

InChI=1S/C32H31N5O2S/c1-21-10-11-26-25(19-21)27(29(36(26)2)22-7-4-3-5-8-22)30(38)24-12-13-34-31(37-16-14-33-15-17-37)28(24)32(39)35-20-23-9-6-18-40-23/h3-13,18-19,33H,14-17,20H2,1-2H3,(H,35,39)