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

Systemtic Name: 4-[(S)-[4-(3-ethynylphenyl)-1-methyl-2-oxidanylidene-quinolin-6-yl]-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(S)-[4-(3-ethynylphenyl)-1-methyl-2-oxo-6-quinolyl]-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[(S)-[4-(3-ethynylphenyl)-1-methyl-2-oxo-6-quinolinyl]-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[(S)-[4-(3-ethynylphenyl)-1-methyl-2-oxoquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[(S)-[4-(3-ethynylphenyl)-2-keto-1-methyl-6-quinolyl]-(3-methylimidazol-4-yl)methyl]benzonitrile Formula: C30H22N4O MolecularWeight: 454.52188

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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)C#C)C

Isomeric SMILES

CN1C=NC=C1[C@@H](C2=CC=C(C=C2)C#N)C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC=CC(=C5)C#C)C

InChI

InChI=1S/C30H22N4O/c1-4-20-6-5-7-23(14-20)25-16-29(35)34(3)27-13-12-24(15-26(25)27)30(28-18-32-19-33(28)2)22-10-8-21(17-31)9-11-22/h1,5-16,18-19,30H,2-3H3/t30-/m0/s1