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

Systemtic Name: methyl 5-azanyl-1-[4-[[2-(phenylmethyl)-1,3-dihydroisoindol-5-yl]carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C27H25N5O3 MolecularWeight: 467.5191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=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

COC(=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/C27H25N5O3/c1-35-27(34)24-14-29-32(25(24)28)23-11-8-19(9-12-23)26(33)30-22-10-7-20-16-31(17-21(20)13-22)15-18-5-3-2-4-6-18/h2-14H,15-17,28H2,1H3,(H,30,33)