6,7-dimethoxy-2-[1-[3-(4-nitrophenoxy)propyl]piperidin-3-yl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6,7-dimethoxy-2-[1-[3-(4-nitrophenoxy)propyl]piperidin-3-yl]-3,4-dihydroisoquinolin-1-one Openeye Name: 6,7-dimethoxy-2-[1-[3-(4-nitrophenoxy)propyl]-3-piperidyl]-3,4-dihydroisoquinolin-1-one CAS Name: 6,7-dimethoxy-2-[1-[3-(4-nitrophenoxy)propyl]-3-piperidinyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6,7-dimethoxy-2-[1-[3-(4-nitrophenoxy)propyl]piperidin-3-yl]-3,4-dihydroisoquinolin-1-one Traditional Name: 6,7-dimethoxy-2-[1-[3-(4-nitrophenoxy)propyl]-3-piperidyl]-3,4-dihydroisocarbostyril Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN(C2=O)C3CCCN(C3)CCCOC4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN(C2=O)C3CCCN(C3)CCCOC4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C25H31N3O6/c1-32-23-15-18-10-13-27(25(29)22(18)16-24(23)33-2)20-5-3-11-26(17-20)12-4-14-34-21-8-6-19(7-9-21)28(30)31/h6-9,15-16,20H,3-5,10-14,17H2,1-2H3