2-azanyl-4-(3-methoxy-4-phenylmethoxy-phenyl)-7,7-dimethyl-5-oxidanylidene-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-methoxy-4-phenylmethoxy-phenyl)-7,7-dimethyl-5-oxidanylidene-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-benzyloxy-3-methoxy-phenyl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(3-methoxy-4-phenylmethoxyphenyl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(3-methoxy-4-phenylmethoxyphenyl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-benzoxy-3-methoxy-phenyl)-5-keto-7,7-dimethyl-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C28H28N6O3 MolecularWeight: 496.56032

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)C(=O)C1)C

InChI

InChI=1S/C28H28N6O3/c1-28(2)12-20-25(21(35)13-28)24(19(14-29)26(30)34(20)27-31-16-32-33-27)18-9-10-22(23(11-18)36-3)37-15-17-7-5-4-6-8-17/h4-11,16,24H,12-13,15,30H2,1-3H3,(H,31,32,33)