ethyl 5-azanyl-1-[4-[[2-(phenylmethyl)-1,3-dihydroisoindol-5-yl]carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[[2-(phenylmethyl)-1,3-dihydroisoindol-5-yl]carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[(2-benzylisoindolin-5-yl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-[[2-(phenylmethyl)-1,3-dihydroisoindol-5-yl]amino]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[(2-benzyl-1,3-dihydroisoindol-5-yl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(2-benzylisoindolin-5-yl)carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C28H27N5O3 MolecularWeight: 481.54568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC4=C(CN(C4)CC5=CC=CC=C5)C=C3)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC4=C(CN(C4)CC5=CC=CC=C5)C=C3)N

InChI

InChI=1S/C28H27N5O3/c1-2-36-28(35)25-15-30-33(26(25)29)24-12-9-20(10-13-24)27(34)31-23-11-8-21-17-32(18-22(21)14-23)16-19-6-4-3-5-7-19/h3-15H,2,16-18,29H2,1H3,(H,31,34)