5-butanoyl-6-methyl-4-(3-phenylquinolin-5-yl)-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 5-butanoyl-6-methyl-4-(3-phenylquinolin-5-yl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-butanoyl-6-methyl-4-(3-phenyl-5-quinolyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: 6-methyl-5-(1-oxobutyl)-4-(3-phenyl-5-quinolinyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-butanoyl-6-methyl-4-(3-phenylquinolin-5-yl)-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-butyryl-6-methyl-4-(3-phenyl-5-quinolyl)-1,4-dihydropyridine-3-carbonitrile Formula: C26H23N3O MolecularWeight: 393.48032

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(NC=C(C1C2=C3C=C(C=NC3=CC=C2)C4=CC=CC=C4)C#N)C

Isomeric SMILES

CCCC(=O)C1=C(NC=C(C1C2=C3C=C(C=NC3=CC=C2)C4=CC=CC=C4)C#N)C

InChI

InChI=1S/C26H23N3O/c1-3-8-24(30)25-17(2)28-16-20(14-27)26(25)21-11-7-12-23-22(21)13-19(15-29-23)18-9-5-4-6-10-18/h4-7,9-13,15-16,26,28H,3,8H2,1-2H3