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

Systemtic Name: 2-azanyl-4-(3-methoxy-4-phenylmethoxy-phenyl)-5-oxidanylidene-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-benzyloxy-3-methoxy-phenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(3-methoxy-4-phenylmethoxyphenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(3-methoxy-4-phenylmethoxyphenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-benzoxy-3-methoxy-phenyl)-5-keto-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C26H24N6O3 MolecularWeight: 468.50716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NC=NN4)N)C#N)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NC=NN4)N)C#N)OCC5=CC=CC=C5

InChI

InChI=1S/C26H24N6O3/c1-34-22-12-17(10-11-21(22)35-14-16-6-3-2-4-7-16)23-18(13-27)25(28)32(26-29-15-30-31-26)19-8-5-9-20(33)24(19)23/h2-4,6-7,10-12,15,23H,5,8-9,14,28H2,1H3,(H,29,30,31)