tert-butyl 3-[[(5-chloranyl-1H-indol-2-yl)carbonylamino]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[[(5-chloranyl-1H-indol-2-yl)carbonylamino]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[[(5-chloro-1H-indole-2-carbonyl)amino]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[[(5-chloro-1H-indol-2-yl)-oxomethyl]hydrazo]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[(5-chloro-1H-indole-2-carbonyl)amino]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[[(5-chloro-1H-indole-2-carbonyl)amino]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C24H25ClN4O4 MolecularWeight: 468.9327

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NNC(=O)C3=CC4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NNC(=O)C3=CC4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C24H25ClN4O4/c1-24(2,3)33-23(32)29-13-15-7-5-4-6-14(15)12-20(29)22(31)28-27-21(30)19-11-16-10-17(25)8-9-18(16)26-19/h4-11,20,26H,12-13H2,1-3H3,(H,27,30)(H,28,31)