4-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]ethyl]-2H-phthalazin-1-one Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C23H26N4O2/c1-17-7-2-3-8-18(17)16-26-11-6-12-27(14-13-26)22(28)15-21-19-9-4-5-10-20(19)23(29)25-24-21/h2-5,7-10H,6,11-16H2,1H3,(H,25,29)