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

Systemtic Name: 5-(1,5-dimethyl-2-phenyl-indol-3-yl)carbonyl-3-piperazin-1-yl-pyrazine-2-carboxylic acid Openeye Name: 5-(1,5-dimethyl-2-phenyl-indole-3-carbonyl)-3-piperazin-1-yl-pyrazine-2-carboxylic acid CAS Name: 5-[(1,5-dimethyl-2-phenyl-3-indolyl)-oxomethyl]-3-(1-piperazinyl)-2-pyrazinecarboxylic acid IUPAC Name: 5-(1,5-dimethyl-2-phenylindole-3-carbonyl)-3-piperazin-1-ylpyrazine-2-carboxylic acid Traditional Name: 5-(1,5-dimethyl-2-phenyl-indole-3-carbonyl)-3-piperazino-pyrazinoic acid Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C(=O)C3=CN=C(C(=N3)N4CCNCC4)C(=O)O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C(=O)C3=CN=C(C(=N3)N4CCNCC4)C(=O)O)C5=CC=CC=C5)C

InChI

InChI=1S/C26H25N5O3/c1-16-8-9-20-18(14-16)21(23(30(20)2)17-6-4-3-5-7-17)24(32)19-15-28-22(26(33)34)25(29-19)31-12-10-27-11-13-31/h3-9,14-15,27H,10-13H2,1-2H3,(H,33,34)