2-azanyl-4-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-7-phenyl-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-7-phenyl-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-hydroxy-3-methoxy-phenyl)-5-oxo-7-phenyl-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-7-phenyl-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-7-phenyl-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-hydroxy-3-methoxy-phenyl)-5-keto-7-phenyl-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C25H22N6O3 MolecularWeight: 454.48058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(=C(N(C3=C2C(=O)CC(C3)C4=CC=CC=C4)C5=NC=NN5)N)C#N)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(=C(N(C3=C2C(=O)CC(C3)C4=CC=CC=C4)C5=NC=NN5)N)C#N)O

InChI

InChI=1S/C25H22N6O3/c1-34-21-11-15(7-8-19(21)32)22-17(12-26)24(27)31(25-28-13-29-30-25)18-9-16(10-20(33)23(18)22)14-5-3-2-4-6-14/h2-8,11,13,16,22,32H,9-10,27H2,1H3,(H,28,29,30)