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

Systemtic Name: 3-[[4-(4-bromophenyl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(4-bromophenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(4-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=C(C=C2)Br)CC3=CC=CC(=C3)C#N

Isomeric SMILES

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

InChI

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