4-[4-(3-methylazepan-1-yl)phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[4-(3-methylazepan-1-yl)phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(3-methylazepan-1-yl)phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-(3-methyl-1-azepanyl)phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(3-methylazepan-1-yl)phenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(3-methylazepan-1-yl)phenyl]-2H-phthalazin-1-one Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN(C1)C2=CC=C(C=C2)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1CCCCN(C1)C2=CC=C(C=C2)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H23N3O/c1-15-6-4-5-13-24(14-15)17-11-9-16(10-12-17)20-18-7-2-3-8-19(18)21(25)23-22-20/h2-3,7-12,15H,4-6,13-14H2,1H3,(H,23,25)