2-(4-oxidanylidene-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-2-yl)-N-phenethyl-butanamide

Systemtic Name: 2-(4-oxidanylidene-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-2-yl)-N-phenethyl-butanamide Openeye Name: 2-(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-2-yl)-N-phenethyl-butanamide CAS Name: 2-(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-2-yl)-N-phenethylbutanamide IUPAC Name: 2-(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-2-yl)-N-phenethylbutanamide Traditional Name: 2-(4-keto-7,8,9,10-tetrahydro-6H-pyrimid[1,2-a]azepin-2-yl)-N-phenethyl-butyramide Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=O)N2CCCCCC2=N1)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCC(C1=CC(=O)N2CCCCCC2=N1)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-2-17(21(26)22-13-12-16-9-5-3-6-10-16)18-15-20(25)24-14-8-4-7-11-19(24)23-18/h3,5-6,9-10,15,17H,2,4,7-8,11-14H2,1H3,(H,22,26)