4-[[4-(6-cyclobutyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl]-1,4-diazepan-2-one

Systemtic Name: 4-[[4-(6-cyclobutyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl]-1,4-diazepan-2-one Openeye Name: 4-[[4-(6-cyclobutyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-1,4-diazepan-2-one CAS Name: 4-[[4-(6-cyclobutyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-1,4-diazepan-2-one IUPAC Name: 4-[[4-(6-cyclobutyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-1,4-diazepan-2-one Traditional Name: 4-[4-(6-cyclobutyl-4-keto-1H-pyrimidin-2-yl)benzyl]-1,4-diazepan-2-one Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C2=CC(=O)N=C(N2)C3=CC=C(C=C3)CN4CCCNC(=O)C4

Isomeric SMILES

C1CC(C1)C2=CC(=O)N=C(N2)C3=CC=C(C=C3)CN4CCCNC(=O)C4

InChI

InChI=1S/C20H24N4O2/c25-18-11-17(15-3-1-4-15)22-20(23-18)16-7-5-14(6-8-16)12-24-10-2-9-21-19(26)13-24/h5-8,11,15H,1-4,9-10,12-13H2,(H,21,26)(H,22,23,25)