4-[azanyl-[4-(3-chlorophenyl)-1-methyl-2-oxidanylidene-quinolin-6-yl]-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[azanyl-[4-(3-chlorophenyl)-1-methyl-2-oxidanylidene-quinolin-6-yl]-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[amino-[4-(3-chlorophenyl)-1-methyl-2-oxo-6-quinolyl]-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[amino-[4-(3-chlorophenyl)-1-methyl-2-oxo-6-quinolinyl]-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[amino-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[amino-[4-(3-chlorophenyl)-2-keto-1-methyl-6-quinolyl]-(3-methylimidazol-4-yl)methyl]benzonitrile Formula: C28H22ClN5O MolecularWeight: 479.96018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N

Isomeric SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N

InChI

InChI=1S/C28H22ClN5O/c1-33-17-32-16-26(33)28(31,20-8-6-18(15-30)7-9-20)21-10-11-25-24(13-21)23(14-27(35)34(25)2)19-4-3-5-22(29)12-19/h3-14,16-17H,31H2,1-2H3