tert-butyl N-[2-[4-(isoquinolin-5-ylmethyl)-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[4-(isoquinolin-5-ylmethyl)-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]carbamate Openeye Name: tert-butyl N-[2-[2-benzyl-4-(5-isoquinolylmethyl)piperazin-1-yl]-2-oxo-ethyl]carbamate CAS Name: N-[2-[4-(5-isoquinolinylmethyl)-2-(phenylmethyl)-1-piperazinyl]-2-oxoethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[2-benzyl-4-(isoquinolin-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]carbamate Traditional Name: N-[2-[2-benzyl-4-(5-isoquinolylmethyl)piperazino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C28H34N4O3 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1CC2=CC=CC=C2)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1CC2=CC=CC=C2)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C28H34N4O3/c1-28(2,3)35-27(34)30-18-26(33)32-15-14-31(20-24(32)16-21-8-5-4-6-9-21)19-23-11-7-10-22-17-29-13-12-25(22)23/h4-13,17,24H,14-16,18-20H2,1-3H3,(H,30,34)