N-[(3S)-2-oxidanylideneazepan-3-yl]-4-pyrazol-1-yl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-4-pyrazol-1-yl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-4-pyrazol-1-yl-N-[[4-(2-pyridylmethoxy)phenyl]methyl]benzamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-4-(1-pyrazolyl)-N-[[4-(2-pyridinylmethoxy)phenyl]methyl]benzamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-4-pyrazol-1-yl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-4-pyrazol-1-yl-N-[4-(2-pyridylmethoxy)benzyl]benzamide Formula: C29H29N5O3 MolecularWeight: 495.57226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)OCC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CCNC(=O)[C@H](C1)N(CC2=CC=C(C=C2)OCC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C29H29N5O3/c35-28-27(7-2-4-17-31-28)33(29(36)23-10-12-25(13-11-23)34-19-5-18-32-34)20-22-8-14-26(15-9-22)37-21-24-6-1-3-16-30-24/h1,3,5-6,8-16,18-19,27H,2,4,7,17,20-21H2,(H,31,35)/t27-/m0/s1