N-[(3R,4R)-4-oxidanyl-1-propan-2-yl-azepan-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide

Systemtic Name: N-[(3R,4R)-4-oxidanyl-1-propan-2-yl-azepan-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide Openeye Name: N-[(3R,4R)-4-hydroxy-1-isopropyl-azepan-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide CAS Name: N-[(3R,4R)-4-hydroxy-1-propan-2-yl-3-azepanyl]-4-[2-(1-pyrrolidinyl)ethoxy]benzamide IUPAC Name: N-[(3R,4R)-4-hydroxy-1-propan-2-ylazepan-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide Traditional Name: N-[(3R,4R)-4-hydroxy-1-isopropyl-azepan-3-yl]-4-(2-pyrrolidinoethoxy)benzamide Formula: C22H35N3O3 MolecularWeight: 389.5316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCCC(C(C1)NC(=O)C2=CC=C(C=C2)OCCN3CCCC3)O

Isomeric SMILES

CC(C)N1CCC[C@H]([C@@H](C1)NC(=O)C2=CC=C(C=C2)OCCN3CCCC3)O

InChI

InChI=1S/C22H35N3O3/c1-17(2)25-13-5-6-21(26)20(16-25)23-22(27)18-7-9-19(10-8-18)28-15-14-24-11-3-4-12-24/h7-10,17,20-21,26H,3-6,11-16H2,1-2H3,(H,23,27)/t20-,21-/m1/s1