tert-butyl 4-[1-(phenylmethyl)-2,3-dihydropyrrolo[3,2-g]isoquinolin-8-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(phenylmethyl)-2,3-dihydropyrrolo[3,2-g]isoquinolin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(1-benzyl-2,3-dihydropyrrolo[3,2-g]isoquinolin-8-yl)piperazine-1-carboxylate CAS Name: 4-[1-(phenylmethyl)-2,3-dihydropyrrolo[3,2-g]isoquinolin-8-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-benzyl-2,3-dihydropyrrolo[3,2-g]isoquinolin-8-yl)piperazine-1-carboxylate Traditional Name: 4-(1-benzyl-2,3-dihydropyrrol[3,2-g]isoquinolin-8-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=CC3=CC4=C(C=C32)N(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=CC3=CC4=C(C=C32)N(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H32N4O2/c1-27(2,3)33-26(32)30-15-13-29(14-16-30)25-23-18-24-22(17-21(23)9-11-28-25)10-12-31(24)19-20-7-5-4-6-8-20/h4-9,11,17-18H,10,12-16,19H2,1-3H3