N-[1-[(2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine

Systemtic Name: N-[1-[(2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine Openeye Name: N-[1-[(2-nitrophenyl)methyl]-3-piperidyl]isoquinolin-5-amine CAS Name: N-[1-[(2-nitrophenyl)methyl]-3-piperidinyl]-5-isoquinolinamine IUPAC Name: N-[1-[(2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine Traditional Name: 5-isoquinolyl-[1-(2-nitrobenzyl)-3-piperidyl]amine Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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