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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CC(C(=O)N3CCC4=CC=CC=C43)N5C=CN=C5

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CC(C(=O)N3CCC4=CC=CC=C43)N5C=CN=C5

InChI

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