4-[4-(azepan-1-yl)-2-methyl-phenyl]-2H-phthalazin-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCCCC2)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCCCC2)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H23N3O/c1-15-14-16(24-12-6-2-3-7-13-24)10-11-17(15)20-18-8-4-5-9-19(18)21(25)23-22-20/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,23,25)