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

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-3-nitro-benzamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-nitro-benzamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-nitro-benzamide Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O4/c32-26(20-8-5-9-23(16-20)31(34)35)28-22-10-11-25(24(17-22)27(33)29-13-3-4-14-29)30-15-12-19-6-1-2-7-21(19)18-30/h1-2,5-11,16-17H,3-4,12-15,18H2,(H,28,32)