N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine

Systemtic Name: N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine Openeye Name: N-[1-[(4-nitrophenyl)methyl]-3-piperidyl]isoquinolin-5-amine CAS Name: N-[1-[(4-nitrophenyl)methyl]-3-piperidinyl]-5-isoquinolinamine IUPAC Name: N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine Traditional Name: 5-isoquinolyl-[1-(4-nitrobenzyl)-3-piperidyl]amine Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CC(CN(C1)CC2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H22N4O2/c26-25(27)19-8-6-16(7-9-19)14-24-12-2-4-18(15-24)23-21-5-1-3-17-13-22-11-10-20(17)21/h1,3,5-11,13,18,23H,2,4,12,14-15H2