4-[[4-(2,4-dimethylphenyl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2,4-dimethylphenyl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2,4-dimethylbenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2,4-dimethylphenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(2,4-dimethylbenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2,4-dimethylbenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C22H25N3O/c1-17-4-9-21(18(2)14-17)22(26)25-11-3-10-24(12-13-25)16-20-7-5-19(15-23)6-8-20/h4-9,14H,3,10-13,16H2,1-2H3