2-(3,4-dichlorophenyl)-1-[2-(pyrrolidin-1-ylmethyl)azepan-1-yl]ethanone

Systemtic Name: 2-(3,4-dichlorophenyl)-1-[2-(pyrrolidin-1-ylmethyl)azepan-1-yl]ethanone Openeye Name: 2-(3,4-dichlorophenyl)-1-[2-(pyrrolidin-1-ylmethyl)azepan-1-yl]ethanone CAS Name: 2-(3,4-dichlorophenyl)-1-[2-(1-pyrrolidinylmethyl)-1-azepanyl]ethanone IUPAC Name: 2-(3,4-dichlorophenyl)-1-[2-(pyrrolidin-1-ylmethyl)azepan-1-yl]ethanone Traditional Name: 2-(3,4-dichlorophenyl)-1-[2-(pyrrolidinomethyl)azepan-1-yl]ethanone Formula: C19H26Cl2N2O MolecularWeight: 369.32854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C(=O)CC2=CC(=C(C=C2)Cl)Cl)CN3CCCC3

Isomeric SMILES

C1CCC(N(CC1)C(=O)CC2=CC(=C(C=C2)Cl)Cl)CN3CCCC3

InChI

InChI=1S/C19H26Cl2N2O/c20-17-8-7-15(12-18(17)21)13-19(24)23-11-3-1-2-6-16(23)14-22-9-4-5-10-22/h7-8,12,16H,1-6,9-11,13-14H2