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

Systemtic Name: 3-methoxy-4-[4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxidanylidene-butoxy]benzenecarbonitrile Openeye Name: 3-methoxy-4-[4-oxo-4-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]butoxy]benzonitrile CAS Name: 3-methoxy-4-[4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutoxy]benzonitrile IUPAC Name: 3-methoxy-4-[4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutoxy]benzonitrile Traditional Name: 4-[4-keto-4-[4-(4-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=C(C=C1)CN2CCCN(CC2)C(=O)CCCOC3=C(C=C(C=C3)C#N)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCCOC3=C(C=C(C=C3)C#N)OC

InChI

InChI=1S/C25H31N3O3/c1-20-6-8-21(9-7-20)19-27-12-4-13-28(15-14-27)25(29)5-3-16-31-23-11-10-22(18-26)17-24(23)30-2/h6-11,17H,3-5,12-16,19H2,1-2H3