[2-(3-nitrophenyl)carbonyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [2-(3-nitrophenyl)carbonyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [2-(3-nitrobenzoyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [2-[(3-nitrophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-3-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-(3-nitrobenzoyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [2-(3-nitrobenzoyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidino-methanone Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c25-20(16-8-5-9-18(12-16)24(27)28)23-14-17-7-2-1-6-15(17)13-19(23)21(26)22-10-3-4-11-22/h1-2,5-9,12,19H,3-4,10-11,13-14H2