4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-1-piperidyl]-N-[(3S)-2-oxoazepan-3-yl]benzamide CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-1-piperidinyl]-N-[(3S)-2-oxo-3-azepanyl]benzamide IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]benzamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-4-[4-(piperonylamino)piperidino]benzamide Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H32N4O4/c31-25(29-22-3-1-2-12-27-26(22)32)19-5-7-21(8-6-19)30-13-10-20(11-14-30)28-16-18-4-9-23-24(15-18)34-17-33-23/h4-9,15,20,22,28H,1-3,10-14,16-17H2,(H,27,32)(H,29,31)/t22-/m0/s1