ethyl 5-azanyl-1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[[1-(p-tolylmethyl)-4-piperidyl]methylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[[1-[(4-methylphenyl)methyl]-4-piperidinyl]methylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[[1-(4-methylbenzyl)-4-piperidyl]methylcarbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C27H33N5O3 MolecularWeight: 475.58262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3CCN(CC3)CC4=CC=C(C=C4)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3CCN(CC3)CC4=CC=C(C=C4)C)N

InChI

InChI=1S/C27H33N5O3/c1-3-35-27(34)24-17-30-32(25(24)28)23-10-8-22(9-11-23)26(33)29-16-20-12-14-31(15-13-20)18-21-6-4-19(2)5-7-21/h4-11,17,20H,3,12-16,18,28H2,1-2H3,(H,29,33)