N-[(3-aminophenyl)methyl]-N-piperidin-3-yl-isoquinolin-5-amine

Systemtic Name: N-[(3-aminophenyl)methyl]-N-piperidin-3-yl-isoquinolin-5-amine Openeye Name: N-[(3-aminophenyl)methyl]-N-(3-piperidyl)isoquinolin-5-amine CAS Name: N-[(3-aminophenyl)methyl]-N-(3-piperidinyl)-5-isoquinolinamine IUPAC Name: N-[(3-aminophenyl)methyl]-N-piperidin-3-ylisoquinolin-5-amine Traditional Name: (3-aminobenzyl)-(5-isoquinolyl)-(3-piperidyl)amine Formula: C21H24N4 MolecularWeight: 332.44206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)N(CC2=CC(=CC=C2)N)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CC(CNC1)N(CC2=CC(=CC=C2)N)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H24N4/c22-18-6-1-4-16(12-18)15-25(19-7-3-10-23-14-19)21-8-2-5-17-13-24-11-9-20(17)21/h1-2,4-6,8-9,11-13,19,23H,3,7,10,14-15,22H2