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

Systemtic Name: 4-[[4-(4-propoxyphenyl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-propoxybenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(4-propoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-propoxybenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-propoxybenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C#N

InChI

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