N-[(2S)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-2-chloranyl-benzamide

Systemtic Name: N-[(2S)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-2-chloranyl-benzamide Openeye Name: N-[(1S)-2-[4-(azepane-1-carbonyl)-1-piperidyl]-1-methyl-2-oxo-ethyl]-2-chloro-benzamide CAS Name: N-[(2S)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-1-oxopropan-2-yl]-2-chlorobenzamide IUPAC Name: N-[(2S)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-chlorobenzamide Traditional Name: N-[(1S)-2-[4-(azepane-1-carbonyl)piperidino]-2-keto-1-methyl-ethyl]-2-chloro-benzamide Formula: C22H30ClN3O3 MolecularWeight: 419.9449

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C(=O)N2CCCCCC2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)C(=O)N2CCCCCC2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H30ClN3O3/c1-16(24-20(27)18-8-4-5-9-19(18)23)21(28)26-14-10-17(11-15-26)22(29)25-12-6-2-3-7-13-25/h4-5,8-9,16-17H,2-3,6-7,10-15H2,1H3,(H,24,27)/t16-/m0/s1