1-(pyridin-4-ylmethyl)-1-(2-pyrrolidin-2-ylphenyl)-3,4-dihydro-2H-isoquinoline carbamate

Systemtic Name: 1-(pyridin-4-ylmethyl)-1-(2-pyrrolidin-2-ylphenyl)-3,4-dihydro-2H-isoquinoline carbamate Openeye Name: 1-(4-pyridylmethyl)-1-(2-pyrrolidin-2-ylphenyl)-3,4-dihydro-2H-isoquinoline carbamate CAS Name: 1-(pyridin-4-ylmethyl)-1-[2-(2-pyrrolidinyl)phenyl]-3,4-dihydro-2H-isoquinoline carbamate IUPAC Name: 1-(pyridin-4-ylmethyl)-1-(2-pyrrolidin-2-ylphenyl)-3,4-dihydro-2H-isoquinoline carbamate Traditional Name: 1-(4-pyridylmethyl)-1-(2-pyrrolidin-2-ylphenyl)-3,4-dihydro-2H-isoquinoline carbamate Formula: C26H29N4O2- MolecularWeight: 429.53406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C2=CC=CC=C2C3(C4=CC=CC=C4CCN3)CC5=CC=NC=C5.C(=O)(N)[O-]

Isomeric SMILES

C1CC(NC1)C2=CC=CC=C2C3(C4=CC=CC=C4CCN3)CC5=CC=NC=C5.C(=O)(N)[O-]

InChI

InChI=1S/C25H27N3.CH3NO2/c1-3-8-22-20(6-1)13-17-28-25(22,18-19-11-15-26-16-12-19)23-9-4-2-7-21(23)24-10-5-14-27-24;2-1(3)4/h1-4,6-9,11-12,15-16,24,27-28H,5,10,13-14,17-18H2;2H2,(H,3,4)/p-1