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

Systemtic Name: 4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]benzonitrile CAS Name: 4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]benzonitrile Traditional Name: 4-(4-p-anisyl-1,4-diazepane-1-carbonyl)benzonitrile Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N3O2/c1-26-20-9-5-18(6-10-20)16-23-11-2-12-24(14-13-23)21(25)19-7-3-17(15-22)4-8-19/h3-10H,2,11-14,16H2,1H3