N-[4-(azepan-1-yl)phenyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carboxamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carboxamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxamide CAS Name: N-[4-(1-azepanyl)phenyl]-4-oxo-3-pyrido[1,2-a]pyrimidinecarboxamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-4-keto-pyrido[1,2-a]pyrimidine-3-carboxamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CN=C4C=CC=CN4C3=O

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CN=C4C=CC=CN4C3=O

InChI

InChI=1S/C21H22N4O2/c26-20(18-15-22-19-7-3-6-14-25(19)21(18)27)23-16-8-10-17(11-9-16)24-12-4-1-2-5-13-24/h3,6-11,14-15H,1-2,4-5,12-13H2,(H,23,26)