2-(2,8a-dihydro-1H-quinazolin-3-yl)-1-[1-(2-azanyl-3-phenyl-propanoyl)-2-(oxidanylidenemethylidene)-4-pyridin-4-yl-piperidin-3-yl]piperidin-3-one

Systemtic Name: 2-(2,8a-dihydro-1H-quinazolin-3-yl)-1-[1-(2-azanyl-3-phenyl-propanoyl)-2-(oxidanylidenemethylidene)-4-pyridin-4-yl-piperidin-3-yl]piperidin-3-one Openeye Name: 2-(2,8a-dihydro-1H-quinazolin-3-yl)-1-[1-(2-amino-3-phenyl-propanoyl)-2-(oxomethylene)-4-(4-pyridyl)-3-piperidyl]piperidin-3-one CAS Name: 2-(2,8a-dihydro-1H-quinazolin-3-yl)-1-[1-(2-amino-1-oxo-3-phenylpropyl)-2-(oxomethylidene)-4-pyridin-4-yl-3-piperidinyl]-3-piperidinone IUPAC Name: 2-(2,8a-dihydro-1H-quinazolin-3-yl)-1-[1-(2-amino-3-phenylpropanoyl)-2-(oxomethylidene)-4-pyridin-4-ylpiperidin-3-yl]piperidin-3-one Traditional Name: 2-(2,8a-dihydro-1H-quinazolin-3-yl)-1-[2-(ketomethylene)-1-phenylalanyl-4-(4-pyridyl)-3-piperidyl]-3-piperidone Formula: C33H36N6O3 MolecularWeight: 564.67734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(N(C1)C2C(CCN(C2=C=O)C(=O)C(CC3=CC=CC=C3)N)C4=CC=NC=C4)N5CNC6C=CC=CC6=C5

Isomeric SMILES

C1CC(=O)C(N(C1)C2C(CCN(C2=C=O)C(=O)C(CC3=CC=CC=C3)N)C4=CC=NC=C4)N5CNC6C=CC=CC6=C5

InChI

InChI=1S/C33H36N6O3/c34-27(19-23-7-2-1-3-8-23)33(42)38-18-14-26(24-12-15-35-16-13-24)31(29(38)21-40)39-17-6-11-30(41)32(39)37-20-25-9-4-5-10-28(25)36-22-37/h1-5,7-10,12-13,15-16,20,26-28,31-32,36H,6,11,14,17-19,22,34H2