2-chloranyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-4-nitro-benzamide Formula: C27H25ClN4O4 MolecularWeight: 504.9648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H25ClN4O4/c28-24-16-21(32(35)36)8-9-22(24)26(33)29-20-7-10-25(23(15-20)27(34)30-12-3-4-13-30)31-14-11-18-5-1-2-6-19(18)17-31/h1-2,5-10,15-16H,3-4,11-14,17H2,(H,29,33)