5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-[2-oxidanylidene-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-3-carboxamide

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-[2-oxidanylidene-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-3-carboxamide Openeye Name: N-[(1S,2S)-2-benzyloxycyclohexyl]-2-[2-[[(1S,2S)-2-benzyloxycyclohexyl]amino]-2-oxo-ethyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazole-3-carboxamide CAS Name: 5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]-3-pyrazolecarboxamide IUPAC Name: 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-3-carboxamide Traditional Name: N-[(1S,2S)-2-benzoxycyclohexyl]-2-[2-[[(1S,2S)-2-benzoxycyclohexyl]amino]-2-keto-ethyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazole-3-carboxamide Formula: C42H49N5O5 MolecularWeight: 703.86896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)CN2C(=CC(=N2)C(=O)N3CCC4=CC=CC=C4C3)C(=O)NC5CCCCC5OCC6=CC=CC=C6)OCC7=CC=CC=C7

Isomeric SMILES

C1CC[C@@H]([C@H](C1)NC(=O)CN2C(=CC(=N2)C(=O)N3CCC4=CC=CC=C4C3)C(=O)N[C@H]5CCCC[C@@H]5OCC6=CC=CC=C6)OCC7=CC=CC=C7

InChI

InChI=1S/C42H49N5O5/c48-40(43-34-19-9-11-21-38(34)51-28-30-13-3-1-4-14-30)27-47-37(25-36(45-47)42(50)46-24-23-32-17-7-8-18-33(32)26-46)41(49)44-35-20-10-12-22-39(35)52-29-31-15-5-2-6-16-31/h1-8,13-18,25,34-35,38-39H,9-12,19-24,26-29H2,(H,43,48)(H,44,49)/t34-,35-,38-,39-/m0/s1