N-[4-(azepan-1-yl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[4-(1-azepanyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H22N4O2 MolecularWeight: 362.42498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

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