N-[(4-chloranyl-2-nitro-phenyl)methyl]-N-piperidin-3-yl-isoquinolin-5-amine

Systemtic Name: N-[(4-chloranyl-2-nitro-phenyl)methyl]-N-piperidin-3-yl-isoquinolin-5-amine Openeye Name: N-[(4-chloro-2-nitro-phenyl)methyl]-N-(3-piperidyl)isoquinolin-5-amine CAS Name: N-[(4-chloro-2-nitrophenyl)methyl]-N-(3-piperidinyl)-5-isoquinolinamine IUPAC Name: N-[(4-chloro-2-nitrophenyl)methyl]-N-piperidin-3-ylisoquinolin-5-amine Traditional Name: (4-chloro-2-nitro-benzyl)-(5-isoquinolyl)-(3-piperidyl)amine Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)N(CC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CC(CNC1)N(CC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H21ClN4O2/c22-17-7-6-16(21(11-17)26(27)28)14-25(18-4-2-9-23-13-18)20-5-1-3-15-12-24-10-8-19(15)20/h1,3,5-8,10-12,18,23H,2,4,9,13-14H2