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

Systemtic Name: N-[1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine Openeye Name: N-[1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine CAS Name: N-[1-[(4-nitrophenyl)methyl]-3-pyrrolidinyl]-5-isoquinolinamine IUPAC Name: N-[1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine Traditional Name: 5-isoquinolyl-[1-(4-nitrobenzyl)pyrrolidin-3-yl]amine Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC2=CC=CC3=C2C=CN=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC1NC2=CC=CC3=C2C=CN=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O2/c25-24(26)18-6-4-15(5-7-18)13-23-11-9-17(14-23)22-20-3-1-2-16-12-21-10-8-19(16)20/h1-8,10,12,17,22H,9,11,13-14H2