3-[[4-(3-nitrophenyl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(3-nitrophenyl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(3-nitrobenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(3-nitrophenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-(3-nitrobenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(3-nitrobenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H20N4O3/c21-14-16-4-1-5-17(12-16)15-22-8-3-9-23(11-10-22)20(25)18-6-2-7-19(13-18)24(26)27/h1-2,4-7,12-13H,3,8-11,15H2