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

Systemtic Name: tert-butyl N-methyl-N-[1-[[1-oxidanylidene-2-phenyl-4-(1-phenylpropylcarbamoyl)isoquinolin-3-yl]methyl]piperidin-4-yl]carbamate Openeye Name: tert-butyl N-methyl-N-[1-[[1-oxo-2-phenyl-4-(1-phenylpropylcarbamoyl)-3-isoquinolyl]methyl]-4-piperidyl]carbamate CAS Name: N-methyl-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-methyl-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]-N-methyl-carbamic acid tert-butyl ester Formula: C37H44N4O4 MolecularWeight: 608.76966

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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)N(C)C(=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)N(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C37H44N4O4/c1-6-31(26-15-9-7-10-16-26)38-34(42)33-29-19-13-14-20-30(29)35(43)41(28-17-11-8-12-18-28)32(33)25-40-23-21-27(22-24-40)39(5)36(44)45-37(2,3)4/h7-20,27,31H,6,21-25H2,1-5H3,(H,38,42)