(2R)-N-[[4-(cyclopropylcarbonylamino)phenyl]methyl]-2-(4-methoxyphenyl)azepane-1-carboxamide

Systemtic Name: (2R)-N-[[4-(cyclopropylcarbonylamino)phenyl]methyl]-2-(4-methoxyphenyl)azepane-1-carboxamide Openeye Name: (2R)-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-(4-methoxyphenyl)azepane-1-carboxamide CAS Name: (2R)-N-[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-2-(4-methoxyphenyl)-1-azepanecarboxamide IUPAC Name: (2R)-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-(4-methoxyphenyl)azepane-1-carboxamide Traditional Name: (2R)-N-[4-(cyclopropanecarbonylamino)benzyl]-2-(4-methoxyphenyl)azepane-1-carboxamide Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)NCC3=CC=C(C=C3)NC(=O)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)NCC3=CC=C(C=C3)NC(=O)C4CC4

InChI

InChI=1S/C25H31N3O3/c1-31-22-14-10-19(11-15-22)23-5-3-2-4-16-28(23)25(30)26-17-18-6-12-21(13-7-18)27-24(29)20-8-9-20/h6-7,10-15,20,23H,2-5,8-9,16-17H2,1H3,(H,26,30)(H,27,29)/t23-/m1/s1