3-(4-chloranyl-3-methyl-phenoxy)-6-[(4-cyclopropyl-1,4-diazepan-1-yl)carbonyl]pyridine-2-carbonitrile

Systemtic Name: 3-(4-chloranyl-3-methyl-phenoxy)-6-[(4-cyclopropyl-1,4-diazepan-1-yl)carbonyl]pyridine-2-carbonitrile Openeye Name: 3-(4-chloro-3-methyl-phenoxy)-6-(4-cyclopropyl-1,4-diazepane-1-carbonyl)pyridine-2-carbonitrile CAS Name: 3-(4-chloro-3-methylphenoxy)-6-[(4-cyclopropyl-1,4-diazepan-1-yl)-oxomethyl]-2-pyridinecarbonitrile IUPAC Name: 3-(4-chloro-3-methylphenoxy)-6-(4-cyclopropyl-1,4-diazepane-1-carbonyl)pyridine-2-carbonitrile Traditional Name: 3-(4-chloro-3-methyl-phenoxy)-6-(4-cyclopropyl-1,4-diazepane-1-carbonyl)picolinonitrile Formula: C22H23ClN4O2 MolecularWeight: 410.89662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(N=C(C=C2)C(=O)N3CCCN(CC3)C4CC4)C#N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(N=C(C=C2)C(=O)N3CCCN(CC3)C4CC4)C#N)Cl

InChI

InChI=1S/C22H23ClN4O2/c1-15-13-17(5-6-18(15)23)29-21-8-7-19(25-20(21)14-24)22(28)27-10-2-9-26(11-12-27)16-3-4-16/h5-8,13,16H,2-4,9-12H2,1H3