4-[[4-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-oxo-3H-phthalazine-1-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-oxo-3H-phthalazine-1-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-keto-3H-phthalazine-1-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H21N5O2/c23-14-16-6-8-17(9-7-16)15-26-10-3-11-27(13-12-26)22(29)20-18-4-1-2-5-19(18)21(28)25-24-20/h1-2,4-9H,3,10-13,15H2,(H,25,28)