[2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: [2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(3,3-diphenylpropylamino)-2-oxo-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [2-(3,3-diphenylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,3-diphenylpropylamino)-2-oxoethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid [2-(3,3-diphenylpropylamino)-2-keto-ethyl] ester Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC(=O)COC(=O)C2=C(N=CC=C2)N3C=NC=N3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC(=O)COC(=O)C2=C(N=CC=C2)N3C=NC=N3)C4=CC=CC=C4

InChI

InChI=1S/C25H23N5O3/c31-23(16-33-25(32)22-12-7-14-28-24(22)30-18-26-17-29-30)27-15-13-21(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,14,17-18,21H,13,15-16H2,(H,27,31)