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

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[4-(3-pyridin-3-ylpropoxy)phenyl]methyl]cyclobutanecarboxamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-N-[[4-[3-(3-pyridyl)propoxy]phenyl]methyl]cyclobutanecarboxamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-N-[[4-[3-(3-pyridinyl)propoxy]phenyl]methyl]cyclobutanecarboxamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-N-[[4-(3-pyridin-3-ylpropoxy)phenyl]methyl]cyclobutanecarboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-N-[4-[3-(3-pyridyl)propoxy]benzyl]cyclobutanecarboxamide Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)OCCCC3=CN=CC=C3)C(=O)C4CCC4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)N(CC2=CC=C(C=C2)OCCCC3=CN=CC=C3)C(=O)C4CCC4

InChI

InChI=1S/C26H33N3O3/c30-25-24(10-1-2-16-28-25)29(26(31)22-8-3-9-22)19-21-11-13-23(14-12-21)32-17-5-7-20-6-4-15-27-18-20/h4,6,11-15,18,22,24H,1-3,5,7-10,16-17,19H2,(H,28,30)/t24-/m0/s1