1-(2,3-dihydroindol-1-yl)-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-imidazol-1-yl-butane-1,4-dione

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-imidazol-1-yl-butane-1,4-dione Openeye Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-imidazol-1-yl-1-indolin-1-yl-butane-1,4-dione CAS Name: 1-(2,3-dihydroindol-1-yl)-4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-(1-imidazolyl)butane-1,4-dione IUPAC Name: 1-(2,3-dihydroindol-1-yl)-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-imidazol-1-ylbutane-1,4-dione Traditional Name: 4-[4-(2,5-dimethylphenyl)piperazino]-2-imidazol-1-yl-1-indolin-1-yl-butane-1,4-dione Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CC(C(=O)N3CCC4=CC=CC=C43)N5C=CN=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CC(C(=O)N3CCC4=CC=CC=C43)N5C=CN=C5

InChI

InChI=1S/C27H31N5O2/c1-20-7-8-21(2)24(17-20)29-13-15-30(16-14-29)26(33)18-25(31-12-10-28-19-31)27(34)32-11-9-22-5-3-4-6-23(22)32/h3-8,10,12,17,19,25H,9,11,13-16,18H2,1-2H3