3,4-dihydro-1H-isoquinolin-2-yl-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O3/c24-20(22-12-9-15-5-1-2-6-17(15)14-22)16-7-8-18(19(13-16)23(25)26)21-10-3-4-11-21/h1-2,5-8,13H,3-4,9-12,14H2