1-[3-(4-methylpiperazin-1-yl)propyl]-3-(5-thiophen-3-ylpyridin-3-yl)indole-4-carboxylic acid

Systemtic Name: 1-[3-(4-methylpiperazin-1-yl)propyl]-3-(5-thiophen-3-ylpyridin-3-yl)indole-4-carboxylic acid Openeye Name: 1-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-(3-thienyl)-3-pyridyl]indole-4-carboxylic acid CAS Name: 1-[3-(4-methyl-1-piperazinyl)propyl]-3-[5-(3-thiophenyl)-3-pyridinyl]-4-indolecarboxylic acid IUPAC Name: 1-[3-(4-methylpiperazin-1-yl)propyl]-3-(5-thiophen-3-ylpyridin-3-yl)indole-4-carboxylic acid Traditional Name: 1-[3-(4-methylpiperazino)propyl]-3-[5-(3-thienyl)-3-pyridyl]indole-4-carboxylic acid Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCN2C=C(C3=C(C=CC=C32)C(=O)O)C4=CN=CC(=C4)C5=CSC=C5

Isomeric SMILES

CN1CCN(CC1)CCCN2C=C(C3=C(C=CC=C32)C(=O)O)C4=CN=CC(=C4)C5=CSC=C5

InChI

InChI=1S/C26H28N4O2S/c1-28-9-11-29(12-10-28)7-3-8-30-17-23(25-22(26(31)32)4-2-5-24(25)30)21-14-20(15-27-16-21)19-6-13-33-18-19/h2,4-6,13-18H,3,7-12H2,1H3,(H,31,32)