4-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-2-propan-2-yl-phthalazin-1-one

Systemtic Name: 4-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-2-propan-2-yl-phthalazin-1-one Openeye Name: 2-isopropyl-4-[4-(o-tolylmethyl)-1,4-diazepane-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-2-propan-2-yl-1-phthalazinone IUPAC Name: 4-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-2-propan-2-ylphthalazin-1-one Traditional Name: 2-isopropyl-4-[4-(2-methylbenzyl)-1,4-diazepane-1-carbonyl]phthalazin-1-one Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C(C)C

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C(C)C

InChI

InChI=1S/C25H30N4O2/c1-18(2)29-24(30)22-12-7-6-11-21(22)23(26-29)25(31)28-14-8-13-27(15-16-28)17-20-10-5-4-9-19(20)3/h4-7,9-12,18H,8,13-17H2,1-3H3