N-[1-[(4-chloranyl-2-nitro-phenyl)methyl]piperidin-3-yl]isoquinolin-5-amine

Systemtic Name: N-[1-[(4-chloranyl-2-nitro-phenyl)methyl]piperidin-3-yl]isoquinolin-5-amine Openeye Name: N-[1-[(4-chloro-2-nitro-phenyl)methyl]-3-piperidyl]isoquinolin-5-amine CAS Name: N-[1-[(4-chloro-2-nitrophenyl)methyl]-3-piperidinyl]-5-isoquinolinamine IUPAC Name: N-[1-[(4-chloro-2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine Traditional Name: [1-(4-chloro-2-nitro-benzyl)-3-piperidyl]-(5-isoquinolyl)amine Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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