5-[(E)-3-[4-(azepan-1-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 5-[(E)-3-[4-(azepan-1-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 5-[(E)-3-[4-(azepan-1-yl)phenyl]-3-oxo-prop-1-enyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 5-[(E)-3-[4-(1-azepanyl)phenyl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 5-[(E)-3-[4-(azepan-1-yl)phenyl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 5-[(E)-3-[4-(azepan-1-yl)phenyl]-3-keto-prop-1-enyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N(C1=O)C)C=CC(=O)C2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CN1C=C(C(=O)N(C1=O)C)/C=C/C(=O)C2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C21H25N3O3/c1-22-15-17(20(26)23(2)21(22)27)9-12-19(25)16-7-10-18(11-8-16)24-13-5-3-4-6-14-24/h7-12,15H,3-6,13-14H2,1-2H3/b12-9+