tert-butyl N-[1-[[1-oxidanylidene-2-phenyl-4-(1-phenylpropylcarbamoyl)isoquinolin-3-yl]methyl]piperidin-4-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[1-oxidanylidene-2-phenyl-4-(1-phenylpropylcarbamoyl)isoquinolin-3-yl]methyl]piperidin-4-yl]carbamate Openeye Name: tert-butyl N-[1-[[1-oxo-2-phenyl-4-(1-phenylpropylcarbamoyl)-3-isoquinolyl]methyl]-4-piperidyl]carbamate CAS Name: N-[1-[[1-oxo-4-[oxo-(1-phenylpropylamino)methyl]-2-phenyl-3-isoquinolinyl]methyl]-4-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[1-oxo-2-phenyl-4-(1-phenylpropylcarbamoyl)isoquinolin-3-yl]methyl]piperidin-4-yl]carbamate Traditional Name: N-[1-[[1-keto-2-phenyl-4-(1-phenylpropylcarbamoyl)-3-isoquinolyl]methyl]-4-piperidyl]carbamic acid tert-butyl ester Formula: C36H42N4O4 MolecularWeight: 594.74308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCC(CC5)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCC(CC5)NC(=O)OC(C)(C)C

InChI

InChI=1S/C36H42N4O4/c1-5-30(25-14-8-6-9-15-25)38-33(41)32-28-18-12-13-19-29(28)34(42)40(27-16-10-7-11-17-27)31(32)24-39-22-20-26(21-23-39)37-35(43)44-36(2,3)4/h6-19,26,30H,5,20-24H2,1-4H3,(H,37,43)(H,38,41)