N-[(3R,4R)-1-(cyclopropylmethyl)-4-oxidanyl-azepan-3-yl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[(3R,4R)-1-(cyclopropylmethyl)-4-oxidanyl-azepan-3-yl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[(3R,4R)-1-(cyclopropylmethyl)-4-hydroxy-azepan-3-yl]benzamide CAS Name: N-[(3R,4R)-1-(cyclopropylmethyl)-4-hydroxy-3-azepanyl]-4-phenylmethoxybenzamide IUPAC Name: N-[(3R,4R)-1-(cyclopropylmethyl)-4-hydroxyazepan-3-yl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[(3R,4R)-1-(cyclopropylmethyl)-4-hydroxy-azepan-3-yl]benzamide Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CN(C1)CC2CC2)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

C1C[C@H]([C@@H](CN(C1)CC2CC2)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C24H30N2O3/c27-23-7-4-14-26(15-18-8-9-18)16-22(23)25-24(28)20-10-12-21(13-11-20)29-17-19-5-2-1-3-6-19/h1-3,5-6,10-13,18,22-23,27H,4,7-9,14-17H2,(H,25,28)/t22-,23-/m1/s1