N-[(3R,4R)-1-(1-methylpiperidin-4-yl)-4-oxidanyl-azepan-3-yl]-4-prop-2-ynoxy-benzamide

Systemtic Name: N-[(3R,4R)-1-(1-methylpiperidin-4-yl)-4-oxidanyl-azepan-3-yl]-4-prop-2-ynoxy-benzamide Openeye Name: N-[(3R,4R)-4-hydroxy-1-(1-methyl-4-piperidyl)azepan-3-yl]-4-prop-2-ynoxy-benzamide CAS Name: N-[(3R,4R)-4-hydroxy-1-(1-methyl-4-piperidinyl)-3-azepanyl]-4-prop-2-ynoxybenzamide IUPAC Name: N-[(3R,4R)-4-hydroxy-1-(1-methylpiperidin-4-yl)azepan-3-yl]-4-prop-2-ynoxybenzamide Traditional Name: N-[(3R,4R)-4-hydroxy-1-(1-methyl-4-piperidyl)azepan-3-yl]-4-propargyloxy-benzamide Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCCC(C(C2)NC(=O)C3=CC=C(C=C3)OCC#C)O

Isomeric SMILES

CN1CCC(CC1)N2CCC[C@H]([C@@H](C2)NC(=O)C3=CC=C(C=C3)OCC#C)O

InChI

InChI=1S/C22H31N3O3/c1-3-15-28-19-8-6-17(7-9-19)22(27)23-20-16-25(12-4-5-21(20)26)18-10-13-24(2)14-11-18/h1,6-9,18,20-21,26H,4-5,10-16H2,2H3,(H,23,27)/t20-,21-/m1/s1