N3-(naphthalen-1-ylmethyl)-1-[2-oxidanylidene-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N5-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide

Systemtic Name: N3-(naphthalen-1-ylmethyl)-1-[2-oxidanylidene-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N5-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide Openeye Name: N5-[(1S,2S)-2-benzyloxycyclohexyl]-1-[2-[[(1S,2S)-2-benzyloxycyclohexyl]amino]-2-oxo-ethyl]-N3-(1-naphthylmethyl)pyrazole-3,5-dicarboxamide CAS Name: N3-(1-naphthalenylmethyl)-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N5-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide IUPAC Name: 3-N-(naphthalen-1-ylmethyl)-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide Traditional Name: N'-[(1S,2S)-2-benzoxycyclohexyl]-1-[2-[[(1S,2S)-2-benzoxycyclohexyl]amino]-2-keto-ethyl]-N-(1-naphthylmethyl)pyrazole-3,5-dicarboxamide Formula: C44H49N5O5 MolecularWeight: 727.89036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)CN2C(=CC(=N2)C(=O)NCC3=CC=CC4=CC=CC=C43)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)NCC3=CC=CC4=CC=CC=C43)C(=O)N[C@H]5CCCC[C@@H]5OCC6=CC=CC=C6)OCC7=CC=CC=C7

InChI

InChI=1S/C44H49N5O5/c50-42(46-36-22-9-11-24-40(36)53-29-31-14-3-1-4-15-31)28-49-39(44(52)47-37-23-10-12-25-41(37)54-30-32-16-5-2-6-17-32)26-38(48-49)43(51)45-27-34-20-13-19-33-18-7-8-21-35(33)34/h1-8,13-21,26,36-37,40-41H,9-12,22-25,27-30H2,(H,45,51)(H,46,50)(H,47,52)/t36-,37-,40-,41-/m0/s1