N-(4-tert-butylphenyl)-4-isoquinolin-1-yl-2-methyl-piperazine-1-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-4-isoquinolin-1-yl-2-methyl-piperazine-1-carboxamide Openeye Name: N-(4-tert-butylphenyl)-4-(1-isoquinolyl)-2-methyl-piperazine-1-carboxamide CAS Name: N-(4-tert-butylphenyl)-4-(1-isoquinolinyl)-2-methyl-1-piperazinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-4-isoquinolin-1-yl-2-methylpiperazine-1-carboxamide Traditional Name: N-(4-tert-butylphenyl)-4-(1-isoquinolyl)-2-methyl-piperazine-1-carboxamide Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)C(C)(C)C)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)C(C)(C)C)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C25H30N4O/c1-18-17-28(23-22-8-6-5-7-19(22)13-14-26-23)15-16-29(18)24(30)27-21-11-9-20(10-12-21)25(2,3)4/h5-14,18H,15-17H2,1-4H3,(H,27,30)