4-(1,5-dimethyl-2-phenyl-indol-3-yl)carbonyl-2-piperazin-1-yl-pyridine-3-carboxylic acid

Systemtic Name: 4-(1,5-dimethyl-2-phenyl-indol-3-yl)carbonyl-2-piperazin-1-yl-pyridine-3-carboxylic acid Openeye Name: 4-(1,5-dimethyl-2-phenyl-indole-3-carbonyl)-2-piperazin-1-yl-pyridine-3-carboxylic acid CAS Name: 4-[(1,5-dimethyl-2-phenyl-3-indolyl)-oxomethyl]-2-(1-piperazinyl)-3-pyridinecarboxylic acid IUPAC Name: 4-(1,5-dimethyl-2-phenylindole-3-carbonyl)-2-piperazin-1-ylpyridine-3-carboxylic acid Traditional Name: 4-(1,5-dimethyl-2-phenyl-indole-3-carbonyl)-2-piperazino-nicotinic acid Formula: C27H26N4O3 MolecularWeight: 454.52034

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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)O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C(=O)C3=C(C(=NC=C3)N4CCNCC4)C(=O)O)C5=CC=CC=C5)C

InChI

InChI=1S/C27H26N4O3/c1-17-8-9-21-20(16-17)22(24(30(21)2)18-6-4-3-5-7-18)25(32)19-10-11-29-26(23(19)27(33)34)31-14-12-28-13-15-31/h3-11,16,28H,12-15H2,1-2H3,(H,33,34)