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

Systemtic Name: tert-butyl 4-(isoquinolin-5-ylmethyl)-2-(2-methylpropyl)piperazine-1-carboxylate Openeye Name: tert-butyl 2-isobutyl-4-(5-isoquinolylmethyl)piperazine-1-carboxylate CAS Name: 4-(5-isoquinolinylmethyl)-2-(2-methylpropyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(isoquinolin-5-ylmethyl)-2-(2-methylpropyl)piperazine-1-carboxylate Traditional Name: 2-isobutyl-4-(5-isoquinolylmethyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C23H33N3O2 MolecularWeight: 383.52702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O2/c1-17(2)13-20-16-25(11-12-26(20)22(27)28-23(3,4)5)15-19-8-6-7-18-14-24-10-9-21(18)19/h6-10,14,17,20H,11-13,15-16H2,1-5H3