3-[3-[4-[(3-methoxyphenyl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: 3-[3-[4-[(3-methoxyphenyl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]propoxy]benzenecarbonitrile Openeye Name: 3-[3-[4-[(3-methoxyphenyl)methyl]-5-oxo-1,4-diazepan-1-yl]propoxy]benzonitrile CAS Name: 3-[3-[4-[(3-methoxyphenyl)methyl]-5-oxo-1,4-diazepan-1-yl]propoxy]benzonitrile IUPAC Name: 3-[3-[4-[(3-methoxyphenyl)methyl]-5-oxo-1,4-diazepan-1-yl]propoxy]benzonitrile Traditional Name: 3-[3-(5-keto-4-m-anisyl-1,4-diazepan-1-yl)propoxy]benzonitrile Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CCC2=O)CCCOC3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CCC2=O)CCCOC3=CC=CC(=C3)C#N

InChI

InChI=1S/C23H27N3O3/c1-28-21-7-3-6-20(16-21)18-26-13-12-25(11-9-23(26)27)10-4-14-29-22-8-2-5-19(15-22)17-24/h2-3,5-8,15-16H,4,9-14,18H2,1H3