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

Systemtic Name: tert-butyl 7-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-[3-tert-butyl-5-(1-naphthylcarbamoylamino)pyrazol-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[3-tert-butyl-5-[[(1-naphthalenylamino)-oxomethyl]amino]-1-pyrazolyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[3-tert-butyl-5-(1-naphthylcarbamoylamino)pyrazol-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C32H37N5O3 MolecularWeight: 539.66788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC5=C(CCN(C5)C(=O)OC(C)(C)C)C=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC5=C(CCN(C5)C(=O)OC(C)(C)C)C=C4

InChI

InChI=1S/C32H37N5O3/c1-31(2,3)27-19-28(34-29(38)33-26-13-9-11-22-10-7-8-12-25(22)26)37(35-27)24-15-14-21-16-17-36(20-23(21)18-24)30(39)40-32(4,5)6/h7-15,18-19H,16-17,20H2,1-6H3,(H2,33,34,38)