N-[2-(azepan-1-yl)-5-chloranyl-phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-5-chloranyl-phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[2-(azepan-1-yl)-5-chloro-phenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[2-(1-azepanyl)-5-chlorophenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[2-(azepan-1-yl)-5-chlorophenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[2-(azepan-1-yl)-5-chloro-phenyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O2/c22-14-9-10-18(26-11-5-1-2-6-12-26)17(13-14)23-21(28)19-15-7-3-4-8-16(15)20(27)25-24-19/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,23,28)(H,25,27)