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

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-4-[4-(3-pyridin-3-yloxypropylamino)piperidin-1-yl]benzamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-4-[4-[3-(3-pyridyloxy)propylamino]-1-piperidyl]benzamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-4-[4-[3-(3-pyridinyloxy)propylamino]-1-piperidinyl]benzamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-4-[4-(3-pyridin-3-yloxypropylamino)piperidin-1-yl]benzamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-4-[4-[3-(3-pyridyloxy)propylamino]piperidino]benzamide Formula: C26H35N5O3 MolecularWeight: 465.5878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)NCCCOC4=CN=CC=C4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)NCCCOC4=CN=CC=C4

InChI

InChI=1S/C26H35N5O3/c32-25(30-24-6-1-2-14-29-26(24)33)20-7-9-22(10-8-20)31-16-11-21(12-17-31)28-15-4-18-34-23-5-3-13-27-19-23/h3,5,7-10,13,19,21,24,28H,1-2,4,6,11-12,14-18H2,(H,29,33)(H,30,32)/t24-/m0/s1