1-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]piperidine-4-carbonitrile

Systemtic Name: 1-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]piperidine-4-carbonitrile Openeye Name: 1-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]piperidine-4-carbonitrile CAS Name: 1-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]-4-piperidinecarbonitrile IUPAC Name: 1-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]piperidine-4-carbonitrile Traditional Name: 1-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]isonipecotonitrile Formula: C26H33N3O2 MolecularWeight: 419.55912

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=C(C1)C=C(C=C2)OCCCN3CCC(CC3)C#N)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1CC(C2=C(C1)C=C(C=C2)OCCCN3CCC(CC3)C#N)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H33N3O2/c1-28-18-22-16-24(31-15-3-12-29-13-10-20(17-27)11-14-29)8-9-25(22)26(19-28)21-4-6-23(30-2)7-5-21/h4-9,16,20,26H,3,10-15,18-19H2,1-2H3