3-[4-[(4-cyclopropyl-1,4-diazepan-1-yl)carbonyl]-2-(methylaminomethyl)phenoxy]benzenecarbonitrile

Systemtic Name: 3-[4-[(4-cyclopropyl-1,4-diazepan-1-yl)carbonyl]-2-(methylaminomethyl)phenoxy]benzenecarbonitrile Openeye Name: 3-[4-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-2-(methylaminomethyl)phenoxy]benzonitrile CAS Name: 3-[4-[(4-cyclopropyl-1,4-diazepan-1-yl)-oxomethyl]-2-(methylaminomethyl)phenoxy]benzonitrile IUPAC Name: 3-[4-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-2-(methylaminomethyl)phenoxy]benzonitrile Traditional Name: 3-[4-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-2-(methylaminomethyl)phenoxy]benzonitrile Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=CC(=C1)C(=O)N2CCCN(CC2)C3CC3)OC4=CC=CC(=C4)C#N

Isomeric SMILES

CNCC1=C(C=CC(=C1)C(=O)N2CCCN(CC2)C3CC3)OC4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H28N4O2/c1-26-17-20-15-19(6-9-23(20)30-22-5-2-4-18(14-22)16-25)24(29)28-11-3-10-27(12-13-28)21-7-8-21/h2,4-6,9,14-15,21,26H,3,7-8,10-13,17H2,1H3