tert-butyl 4-(isoquinolin-5-ylmethyl)-2-methyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(isoquinolin-5-ylmethyl)-2-methyl-piperazine-1-carboxylate Openeye Name: tert-butyl 4-(5-isoquinolylmethyl)-2-methyl-piperazine-1-carboxylate CAS Name: 4-(5-isoquinolinylmethyl)-2-methyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(isoquinolin-5-ylmethyl)-2-methylpiperazine-1-carboxylate Traditional Name: 4-(5-isoquinolylmethyl)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)OC(C)(C)C)CC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC1CN(CCN1C(=O)OC(C)(C)C)CC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H27N3O2/c1-15-13-22(10-11-23(15)19(24)25-20(2,3)4)14-17-7-5-6-16-12-21-9-8-18(16)17/h5-9,12,15H,10-11,13-14H2,1-4H3