ethyl 5-azanyl-1-[4-[2-[methyl-(phenylmethyl)amino]ethylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[2-[methyl-(phenylmethyl)amino]ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[2-[benzyl(methyl)amino]ethylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[2-[methyl-(phenylmethyl)amino]ethylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[2-[benzyl(methyl)amino]ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[2-[benzyl(methyl)amino]ethylcarbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C23H27N5O3 MolecularWeight: 421.49218

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)NCCN(C)CC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCN(C)CC3=CC=CC=C3)N

InChI

InChI=1S/C23H27N5O3/c1-3-31-23(30)20-15-26-28(21(20)24)19-11-9-18(10-12-19)22(29)25-13-14-27(2)16-17-7-5-4-6-8-17/h4-12,15H,3,13-14,16,24H2,1-2H3,(H,25,29)