4-anthracen-9-yl-2-azanyl-5-oxidanylidene-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 4-anthracen-9-yl-2-azanyl-5-oxidanylidene-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(9-anthryl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(9-anthracenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-anthracen-9-yl-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(9-anthryl)-5-keto-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C26H20N6O MolecularWeight: 432.4766

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=C5C=CC=CC5=CC6=CC=CC=C64)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=C5C=CC=CC5=CC6=CC=CC=C64)C(=O)C1

InChI

InChI=1S/C26H20N6O/c27-13-19-23(22-17-8-3-1-6-15(17)12-16-7-2-4-9-18(16)22)24-20(10-5-11-21(24)33)32(25(19)28)26-29-14-30-31-26/h1-4,6-9,12,14,23H,5,10-11,28H2,(H,29,30,31)