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

Systemtic Name: 4-[[4-(2-ethoxyphenyl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-ethoxybenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-ethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-ethoxybenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-ethoxybenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25N3O2/c1-2-27-21-7-4-3-6-20(21)22(26)25-13-5-12-24(14-15-25)17-19-10-8-18(16-23)9-11-19/h3-4,6-11H,2,5,12-15,17H2,1H3