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

Systemtic Name: [2-(4-chloranyl-3-nitro-phenyl)carbonyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [2-(4-chloro-3-nitro-benzoyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [2-[(4-chloro-3-nitrophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-3-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-(4-chloro-3-nitrobenzoyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [2-(4-chloro-3-nitro-benzoyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidino-methanone Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4/c22-17-8-7-15(12-18(17)25(28)29)20(26)24-13-16-6-2-1-5-14(16)11-19(24)21(27)23-9-3-4-10-23/h1-2,5-8,12,19H,3-4,9-11,13H2