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

Systemtic Name: tert-butyl 3-[(1,2-diethylpyrazolidin-4-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[(1,2-diethylpyrazolidin-4-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[(1,2-diethyl-4-pyrazolidinyl)amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(1,2-diethylpyrazolidin-4-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[(1,2-diethylpyrazolidin-4-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H34N4O3 MolecularWeight: 402.53036

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(CN1CC)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

Isomeric SMILES

CCN1CC(CN1CC)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

InChI

InChI=1S/C22H34N4O3/c1-6-24-14-18(15-25(24)7-2)23-20(27)19-12-16-10-8-9-11-17(16)13-26(19)21(28)29-22(3,4)5/h8-11,18-19H,6-7,12-15H2,1-5H3,(H,23,27)