10-(3-phenylpropyl)-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one

Systemtic Name: 10-(3-phenylpropyl)-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one Openeye Name: 10-(3-phenylpropyl)-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one CAS Name: 10-(3-phenylpropyl)-2-(4-pyrimidinyl)-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one IUPAC Name: 10-(3-phenylpropyl)-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one Traditional Name: 10-(3-phenylpropyl)-2-(4-pyrimidyl)-7,8,9,10-tetrahydro-6H-pyrimid[1,2-a]azepin-4-one Formula: C22H24N4O MolecularWeight: 360.45216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(=O)C=C(N=C2C(C1)CCCC3=CC=CC=C3)C4=NC=NC=C4

Isomeric SMILES

C1CCN2C(=O)C=C(N=C2C(C1)CCCC3=CC=CC=C3)C4=NC=NC=C4

InChI

InChI=1S/C22H24N4O/c27-21-15-20(19-12-13-23-16-24-19)25-22-18(10-4-5-14-26(21)22)11-6-9-17-7-2-1-3-8-17/h1-3,7-8,12-13,15-16,18H,4-6,9-11,14H2