N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[4-(3-pyridin-3-ylpropoxy)phenyl]methyl]cyclohexanecarboxamide

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[4-(3-pyridin-3-ylpropoxy)phenyl]methyl]cyclohexanecarboxamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-N-[[4-[3-(3-pyridyl)propoxy]phenyl]methyl]cyclohexanecarboxamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-N-[[4-[3-(3-pyridinyl)propoxy]phenyl]methyl]cyclohexanecarboxamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-N-[[4-(3-pyridin-3-ylpropoxy)phenyl]methyl]cyclohexanecarboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-N-[4-[3-(3-pyridyl)propoxy]benzyl]cyclohexanecarboxamide Formula: C28H37N3O3 MolecularWeight: 463.61168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=CC=C(C=C2)OCCCC3=CN=CC=C3)C4CCCCNC4=O

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC=C(C=C2)OCCCC3=CN=CC=C3)[C@H]4CCCCNC4=O

InChI

InChI=1S/C28H37N3O3/c32-27-26(12-4-5-18-30-27)31(28(33)24-10-2-1-3-11-24)21-23-13-15-25(16-14-23)34-19-7-9-22-8-6-17-29-20-22/h6,8,13-17,20,24,26H,1-5,7,9-12,18-19,21H2,(H,30,32)/t26-/m0/s1