N-[4-(azepan-1-yl)phenyl]-3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-[4-(1-azepanyl)phenyl]-3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-3-(4-keto-2,6-dimethyl-1H-pyrimidin-5-yl)propionamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C)CCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C)CCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C21H28N4O2/c1-15-19(21(27)23-16(2)22-15)11-12-20(26)24-17-7-9-18(10-8-17)25-13-5-3-4-6-14-25/h7-10H,3-6,11-14H2,1-2H3,(H,24,26)(H,22,23,27)