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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C2CC3=CC=CC=C3C(N2)(CC4=CC=NC=C4)C5=CC=CC=C5.C(=O)(N)[O-]

Isomeric SMILES

C1CC(NC1)C2CC3=CC=CC=C3C(N2)(CC4=CC=NC=C4)C5=CC=CC=C5.C(=O)(N)[O-]

InChI

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