2-[5,6-bis(4-dimethylaminophenyl)-3-oxidanylidene-1,2,4-triazin-2-yl]ethyl pyridine-3-carboxylate

Systemtic Name: 2-[5,6-bis(4-dimethylaminophenyl)-3-oxidanylidene-1,2,4-triazin-2-yl]ethyl pyridine-3-carboxylate Openeye Name: 2-[5,6-bis(4-dimethylaminophenyl)-3-oxo-1,2,4-triazin-2-yl]ethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-[5,6-bis(4-dimethylaminophenyl)-3-oxo-1,2,4-triazin-2-yl]ethyl ester IUPAC Name: 2-[5,6-bis(4-dimethylaminophenyl)-3-oxo-1,2,4-triazin-2-yl]ethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-[5,6-bis(4-dimethylaminophenyl)-3-keto-1,2,4-triazin-2-yl]ethyl ester Formula: C27H28N6O3 MolecularWeight: 484.54962

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)N(C)C)CCOC(=O)C4=CN=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)N(C)C)CCOC(=O)C4=CN=CC=C4

InChI

InChI=1S/C27H28N6O3/c1-31(2)22-11-7-19(8-12-22)24-25(20-9-13-23(14-10-20)32(3)4)30-33(27(35)29-24)16-17-36-26(34)21-6-5-15-28-18-21/h5-15,18H,16-17H2,1-4H3