azepan-1-yl-[1-[[(2S)-5-chloranyl-2,3-dihydro-1-benzofuran-2-yl]carbonyl]piperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[[(2S)-5-chloranyl-2,3-dihydro-1-benzofuran-2-yl]carbonyl]piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[(2S)-5-chloro-2,3-dihydrobenzofuran-2-carbonyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[(2S)-5-chloro-2,3-dihydrobenzofuran-2-yl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[(2S)-5-chlorocoumaran-2-carbonyl]-4-piperidyl]methanone Formula: C21H27ClN2O3 MolecularWeight: 390.90368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)[C@@H]3CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H27ClN2O3/c22-17-5-6-18-16(13-17)14-19(27-18)21(26)24-11-7-15(8-12-24)20(25)23-9-3-1-2-4-10-23/h5-6,13,15,19H,1-4,7-12,14H2/t19-/m0/s1