2-[[7-oxidanylidene-4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[7-oxidanylidene-4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[7-oxo-4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 2-[[7-oxo-4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 2-[[7-oxo-4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 2-[[7-keto-4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CC=CC=C2C#N)CCOC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC=CC=C2C#N)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2/c22-16-18-6-4-5-7-19(18)17-24-13-12-23(11-10-21(24)25)14-15-26-20-8-2-1-3-9-20/h1-9H,10-15,17H2