3-ethoxy-4-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-ethoxy-4-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-ethoxy-4-[2-oxo-2-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]ethoxy]benzonitrile CAS Name: 3-ethoxy-4-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-ethoxy-4-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 3-ethoxy-4-[2-keto-2-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]ethoxy]benzonitrile Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C

InChI

InChI=1S/C24H29N3O3/c1-3-29-23-15-21(16-25)9-10-22(23)30-18-24(28)27-12-4-11-26(13-14-27)17-20-7-5-19(2)6-8-20/h5-10,15H,3-4,11-14,17-18H2,1-2H3