(1S,2R)-2-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]carbonylcyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]carbonylcyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[4-(4-phenylquinazolin-2-yl)piperazine-1-carbonyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[oxo-[4-(4-phenyl-2-quinazolinyl)-1-piperazinyl]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[4-(4-phenylquinazolin-2-yl)piperazine-1-carbonyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[4-(4-phenylquinazolin-2-yl)piperazine-1-carbonyl]cyclohexanecarboxylate Formula: C26H27N4O3- MolecularWeight: 443.51758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C26H28N4O3/c31-24(19-10-4-5-11-20(19)25(32)33)29-14-16-30(17-15-29)26-27-22-13-7-6-12-21(22)23(28-26)18-8-2-1-3-9-18/h1-3,6-9,12-13,19-20H,4-5,10-11,14-17H2,(H,32,33)/p-1/t19-,20+/m1/s1