N-[(3S)-2-oxidanylideneazepan-3-yl]-4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]benzamide

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]benzamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-4-[4-[2-(2-pyridyl)ethylamino]-1-piperidyl]benzamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-4-[4-[2-(2-pyridinyl)ethylamino]-1-piperidinyl]benzamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]benzamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-4-[4-[2-(2-pyridyl)ethylamino]piperidino]benzamide Formula: C25H33N5O2 MolecularWeight: 435.56182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)NCCC4=CC=CC=N4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)NCCC4=CC=CC=N4

InChI

InChI=1S/C25H33N5O2/c31-24(29-23-6-2-4-15-28-25(23)32)19-7-9-22(10-8-19)30-17-12-21(13-18-30)27-16-11-20-5-1-3-14-26-20/h1,3,5,7-10,14,21,23,27H,2,4,6,11-13,15-18H2,(H,28,32)(H,29,31)/t23-/m0/s1