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

Systemtic Name: 6-[(4-cyclopropyl-1,4-diazepan-1-yl)carbonyl]-3-phenoxy-pyridine-2-carbonitrile Openeye Name: 6-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-3-phenoxy-pyridine-2-carbonitrile CAS Name: 6-[(4-cyclopropyl-1,4-diazepan-1-yl)-oxomethyl]-3-phenoxy-2-pyridinecarbonitrile IUPAC Name: 6-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-3-phenoxypyridine-2-carbonitrile Traditional Name: 6-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-3-phenoxy-picolinonitrile Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=NC(=C(C=C2)OC3=CC=CC=C3)C#N)C4CC4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=NC(=C(C=C2)OC3=CC=CC=C3)C#N)C4CC4

InChI

InChI=1S/C21H22N4O2/c22-15-19-20(27-17-5-2-1-3-6-17)10-9-18(23-19)21(26)25-12-4-11-24(13-14-25)16-7-8-16/h1-3,5-6,9-10,16H,4,7-8,11-14H2