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

Systemtic Name: 3-[[4-(3-bromophenyl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(3-bromophenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C20H20BrN3O MolecularWeight: 398.2963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)Br)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)Br)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H20BrN3O/c21-19-7-2-6-18(13-19)20(25)24-9-3-8-23(10-11-24)15-17-5-1-4-16(12-17)14-22/h1-2,4-7,12-13H,3,8-11,15H2