tert-butyl 7-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 7-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[3-tert-butyl-5-[[(4-chloroanilino)-oxomethyl]amino]-1-pyrazolyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C28H34ClN5O3 MolecularWeight: 524.05426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)Cl)C3=CC4=C(CCN(C4)C(=O)OC(C)(C)C)C=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)Cl)C3=CC4=C(CCN(C4)C(=O)OC(C)(C)C)C=C3

InChI

InChI=1S/C28H34ClN5O3/c1-27(2,3)23-16-24(31-25(35)30-21-10-8-20(29)9-11-21)34(32-23)22-12-7-18-13-14-33(17-19(18)15-22)26(36)37-28(4,5)6/h7-12,15-16H,13-14,17H2,1-6H3,(H2,30,31,35)