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

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-1-ylcarbonyl-phenyl]-3-nitro-benzamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(piperidine-1-carbonyl)phenyl]-3-nitro-benzamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-piperidinyl)methyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(piperidine-1-carbonyl)phenyl]-3-nitrobenzamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(piperidine-1-carbonyl)phenyl]-3-nitro-benzamide Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H28N4O4/c33-27(21-9-6-10-24(17-21)32(35)36)29-23-11-12-26(25(18-23)28(34)30-14-4-1-5-15-30)31-16-13-20-7-2-3-8-22(20)19-31/h2-3,6-12,17-18H,1,4-5,13-16,19H2,(H,29,33)