4-(3-chlorophenyl)-3-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)-3-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-(4-benzhydrylpiperazine-1-carbonyl)-4-(3-chlorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(3-chlorophenyl)-3-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 3-(4-benzhydrylpiperazine-1-carbonyl)-4-(3-chlorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-(4-benzhydrylpiperazine-1-carbonyl)-4-(3-chlorophenyl)-2-keto-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid Formula: C30H29ClN4O4 MolecularWeight: 545.02866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)Cl)C(=O)O

InChI

InChI=1S/C30H29ClN4O4/c1-20-25(28(36)37)27(23-13-8-14-24(31)19-23)35(29(38)32-20)30(39)34-17-15-33(16-18-34)26(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,26-27H,15-18H2,1H3,(H,32,38)(H,36,37)