tert-butyl 3-[[(1-methylpyrrol-2-yl)carbonylamino]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[[(1-methylpyrrol-2-yl)carbonylamino]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[[(1-methylpyrrole-2-carbonyl)amino]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[[(1-methyl-2-pyrrolyl)-oxomethyl]hydrazo]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[(1-methylpyrrole-2-carbonyl)amino]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[[(1-methylpyrrole-2-carbonyl)amino]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NNC(=O)C3=CC=CN3C

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NNC(=O)C3=CC=CN3C

InChI

InChI=1S/C21H26N4O4/c1-21(2,3)29-20(28)25-13-15-9-6-5-8-14(15)12-17(25)19(27)23-22-18(26)16-10-7-11-24(16)4/h5-11,17H,12-13H2,1-4H3,(H,22,26)(H,23,27)