4-[2-[4-methyl-6-oxidanylidene-1,5-bis(phenylmethyl)-1,3-diazinan-2-yl]hydrazinyl]benzoic acid

Systemtic Name: 4-[2-[4-methyl-6-oxidanylidene-1,5-bis(phenylmethyl)-1,3-diazinan-2-yl]hydrazinyl]benzoic acid Openeye Name: 4-[2-(1,5-dibenzyl-4-methyl-6-oxo-hexahydropyrimidin-2-yl)hydrazino]benzoic acid CAS Name: 4-[[4-methyl-6-oxo-1,5-bis(phenylmethyl)-1,3-diazinan-2-yl]hydrazo]benzoic acid IUPAC Name: 4-[2-(1,5-dibenzyl-4-methyl-6-oxo-1,3-diazinan-2-yl)hydrazinyl]benzoic acid Traditional Name: 4-[N'-(1,5-dibenzyl-6-keto-4-methyl-hexahydropyrimidin-2-yl)hydrazino]benzoic acid Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N(C(N1)NNC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1C(C(=O)N(C(N1)NNC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O3/c1-18-23(16-19-8-4-2-5-9-19)24(31)30(17-20-10-6-3-7-11-20)26(27-18)29-28-22-14-12-21(13-15-22)25(32)33/h2-15,18,23,26-29H,16-17H2,1H3,(H,32,33)