(6E)-2-azanyl-6-[2-(cyclopropylmethoxy)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-4-piperidin-3-yl-1H-pyridine-3-carbonitrile hydrochloride

Systemtic Name: (6E)-2-azanyl-6-[2-(cyclopropylmethoxy)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-4-piperidin-3-yl-1H-pyridine-3-carbonitrile hydrochloride Openeye Name: (6E)-2-amino-6-[2-(cyclopropylmethoxy)-6-oxo-cyclohexa-2,4-dien-1-ylidene]-4-(3-piperidyl)-1H-pyridine-3-carbonitrile hydrochloride CAS Name: (6E)-2-amino-6-[2-(cyclopropylmethoxy)-6-oxo-1-cyclohexa-2,4-dienylidene]-4-(3-piperidinyl)-1H-pyridine-3-carbonitrile hydrochloride IUPAC Name: (6E)-2-amino-6-[2-(cyclopropylmethoxy)-6-oxocyclohexa-2,4-dien-1-ylidene]-4-piperidin-3-yl-1H-pyridine-3-carbonitrile hydrochloride Traditional Name: (6E)-2-amino-6-[2-(cyclopropylmethoxy)-6-keto-cyclohexa-2,4-dien-1-ylidene]-4-(3-piperidyl)-1H-pyridine-3-carbonitrile hydrochloride Formula: C21H25ClN4O2 MolecularWeight: 400.9018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C2=CC(=C3C(=O)C=CC=C3OCC4CC4)NC(=C2C#N)N.Cl

Isomeric SMILES

C1CC(CNC1)C2=C/C(=C/3\C(=O)C=CC=C3OCC4CC4)/NC(=C2C#N)N.Cl

InChI

InChI=1S/C21H24N4O2.ClH/c22-10-16-15(14-3-2-8-24-11-14)9-17(25-21(16)23)20-18(26)4-1-5-19(20)27-12-13-6-7-13;/h1,4-5,9,13-14,24-25H,2-3,6-8,11-12,23H2;1H/b20-17-;