4-[[3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[3-[4-(cyclopropylmethyl)-1,4-diazepane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-oxomethyl]phenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[3-[4-(cyclopropylmethyl)-1,4-diazepane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[3-[4-(cyclopropylmethyl)-1,4-diazepane-1-carbonyl]benzyl]-2H-phthalazin-1-one Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)CC3=NNC(=O)C4=CC=CC=C43)CC5CC5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)CC3=NNC(=O)C4=CC=CC=C43)CC5CC5

InChI

InChI=1S/C25H28N4O2/c30-24-22-8-2-1-7-21(22)23(26-27-24)16-19-5-3-6-20(15-19)25(31)29-12-4-11-28(13-14-29)17-18-9-10-18/h1-3,5-8,15,18H,4,9-14,16-17H2,(H,27,30)