4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)-N-[1-oxidanylidene-3-(4-phenylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide

Systemtic Name: 4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)-N-[1-oxidanylidene-3-(4-phenylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide Openeye Name: 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-oxo-1-[(4-phenylphenyl)methyl]-2-[4-(1-piperidyl)-1-piperidyl]ethyl]piperidine-1-carboxamide CAS Name: 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-oxo-3-(4-phenylphenyl)-1-[4-(1-piperidinyl)-1-piperidinyl]propan-2-yl]-1-piperidinecarboxamide IUPAC Name: 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-oxo-3-(4-phenylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide Traditional Name: 4-(2-keto-1,4-dihydroquinazolin-3-yl)-N-[2-keto-1-(4-phenylbenzyl)-2-(4-piperidinopiperidino)ethyl]piperidine-1-carboxamide Formula: C39H48N6O3 MolecularWeight: 648.83682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C(=O)C(CC3=CC=C(C=C3)C4=CC=CC=C4)NC(=O)N5CCC(CC5)N6CC7=CC=CC=C7NC6=O

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C(=O)C(CC3=CC=C(C=C3)C4=CC=CC=C4)NC(=O)N5CCC(CC5)N6CC7=CC=CC=C7NC6=O

InChI

InChI=1S/C39H48N6O3/c46-37(43-23-17-33(18-24-43)42-21-7-2-8-22-42)36(27-29-13-15-31(16-14-29)30-9-3-1-4-10-30)41-38(47)44-25-19-34(20-26-44)45-28-32-11-5-6-12-35(32)40-39(45)48/h1,3-6,9-16,33-34,36H,2,7-8,17-28H2,(H,40,48)(H,41,47)