(2Z)-2-[4-[hydroxymethyl(2-pyridin-4-ylethyl)amino]-2-oxidanylidene-pyridin-3-ylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carbonitrile

Systemtic Name: (2Z)-2-[4-[hydroxymethyl(2-pyridin-4-ylethyl)amino]-2-oxidanylidene-pyridin-3-ylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carbonitrile Openeye Name: (2Z)-2-[4-[hydroxymethyl-[2-(4-pyridyl)ethyl]amino]-2-oxo-3-pyridylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carbonitrile CAS Name: (2Z)-2-[4-[hydroxymethyl(2-pyridin-4-ylethyl)amino]-2-oxo-3-pyridinylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carbonitrile IUPAC Name: (2Z)-2-[4-[hydroxymethyl(2-pyridin-4-ylethyl)amino]-2-oxopyridin-3-ylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carbonitrile Traditional Name: (2Z)-2-[2-keto-4-[methylol-[2-(4-pyridyl)ethyl]amino]-3-pyridylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carbonitrile Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)C#N)NC(=C3C(=CC=NC3=O)N(CCC4=CC=NC=C4)CO)N2

Isomeric SMILES

CC1=C2C(=CC(=C1)C#N)N/C(=C/3\C(=CC=NC3=O)N(CCC4=CC=NC=C4)CO)/N2

InChI

InChI=1S/C22H20N6O2/c1-14-10-16(12-23)11-17-20(14)27-21(26-17)19-18(4-8-25-22(19)30)28(13-29)9-5-15-2-6-24-7-3-15/h2-4,6-8,10-11,26-27,29H,5,9,13H2,1H3/b21-19-