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

Systemtic Name: N-[1-[(3-nitrophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine Openeye Name: N-[1-[(3-nitrophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine CAS Name: N-[1-[(3-nitrophenyl)methyl]-3-pyrrolidinyl]-5-isoquinolinamine IUPAC Name: N-[1-[(3-nitrophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine Traditional Name: 5-isoquinolyl-[1-(3-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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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