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

Systemtic Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone CAS Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(3-methoxyphenyl)-1-pyrrolidinyl]-(4-nitrophenyl)methanone IUPAC Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(3-methoxyphenyl)pyrrolidino]-(4-nitrophenyl)methanone Formula: C28H29N3O4 MolecularWeight: 471.54756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CN(CC2CN3CCC4=CC=CC=C4C3)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2CN(CC2CN3CCC4=CC=CC=C4C3)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H29N3O4/c1-35-26-8-4-7-22(15-26)27-19-30(28(32)21-9-11-25(12-10-21)31(33)34)18-24(27)17-29-14-13-20-5-2-3-6-23(20)16-29/h2-12,15,24,27H,13-14,16-19H2,1H3