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

Systemtic Name: 3-methoxy-4-[4-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxidanylidene-butoxy]benzenecarbonitrile Openeye Name: 3-methoxy-4-[4-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]-4-oxo-butoxy]benzonitrile CAS Name: 3-methoxy-4-[4-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutoxy]benzonitrile IUPAC Name: 3-methoxy-4-[4-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutoxy]benzonitrile Traditional Name: 4-[4-keto-4-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]butoxy]-3-methoxy-benzonitrile Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CCCOC3=C(C=C(C=C3)C#N)OC

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CCCOC3=C(C=C(C=C3)C#N)OC

InChI

InChI=1S/C25H31N3O3/c1-20-7-3-4-8-22(20)19-27-12-6-13-28(15-14-27)25(29)9-5-16-31-23-11-10-21(18-26)17-24(23)30-2/h3-4,7-8,10-11,17H,5-6,9,12-16,19H2,1-2H3