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

Systemtic Name: 5-(azepan-1-yl)-N-[2-chloranyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]pentanamide Openeye Name: 5-(azepan-1-yl)-N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide CAS Name: 5-(1-azepanyl)-N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide IUPAC Name: 5-(azepan-1-yl)-N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide Traditional Name: 5-(azepan-1-yl)-N-[2-chloro-5-(4-keto-3H-phthalazin-1-yl)phenyl]valeramide Formula: C25H29ClN4O2 MolecularWeight: 452.97636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCCC(=O)NC2=C(C=CC(=C2)C3=NNC(=O)C4=CC=CC=C43)Cl

Isomeric SMILES

C1CCCN(CC1)CCCCC(=O)NC2=C(C=CC(=C2)C3=NNC(=O)C4=CC=CC=C43)Cl

InChI

InChI=1S/C25H29ClN4O2/c26-21-13-12-18(24-19-9-3-4-10-20(19)25(32)29-28-24)17-22(21)27-23(31)11-5-8-16-30-14-6-1-2-7-15-30/h3-4,9-10,12-13,17H,1-2,5-8,11,14-16H2,(H,27,31)(H,29,32)