4-[1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[1-methyl-2-oxo-2-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]ethoxy]benzonitrile CAS Name: 4-[1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 4-[1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 4-[2-keto-1-methyl-2-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]ethoxy]benzonitrile Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C(C)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C(C)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H27N3O2/c1-18-4-6-21(7-5-18)17-25-12-3-13-26(15-14-25)23(27)19(2)28-22-10-8-20(16-24)9-11-22/h4-11,19H,3,12-15,17H2,1-2H3