3-[1-[1-(2-azanyl-3-phenyl-propanoyl)-2-(oxidanylidenemethylidene)-4-pyridin-4-yl-piperidin-3-yl]piperidin-2-yl]-1,4-dihydroquinazolin-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)N2CC3=CC=CC=C3NC2=O)C4C(CCN(C4=C=O)C(=O)C(CC5=CC=CC=C5)N)C6=CC=NC=C6

Isomeric SMILES

C1CCN(C(C1)N2CC3=CC=CC=C3NC2=O)C4C(CCN(C4=C=O)C(=O)C(CC5=CC=CC=C5)N)C6=CC=NC=C6

InChI

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