N-[4-[3-[(3-chlorophenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]-2-phenyl-butanamide

Systemtic Name: N-[4-[3-[(3-chlorophenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]-2-phenyl-butanamide Openeye Name: N-[4-[3-[(3-chlorophenyl)methyl]-2-oxo-hexahydropyrimidin-1-yl]phenyl]-2-phenyl-butanamide CAS Name: N-[4-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide IUPAC Name: N-[4-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide Traditional Name: N-[4-[3-(3-chlorobenzyl)-2-keto-hexahydropyrimidin-1-yl]phenyl]-2-phenyl-butyramide Formula: C27H28ClN3O2 MolecularWeight: 461.98312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)N3CCCN(C3=O)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)N3CCCN(C3=O)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H28ClN3O2/c1-2-25(21-9-4-3-5-10-21)26(32)29-23-12-14-24(15-13-23)31-17-7-16-30(27(31)33)19-20-8-6-11-22(28)18-20/h3-6,8-15,18,25H,2,7,16-17,19H2,1H3,(H,29,32)