2-(azepan-1-yl)-2-(2-chlorophenyl)ethanamine; ethanedioic acid

Systemtic Name: 2-(azepan-1-yl)-2-(2-chlorophenyl)ethanamine; ethanedioic acid Openeye Name: 2-(azepan-1-yl)-2-(2-chlorophenyl)ethanamine; oxalic acid CAS Name: 2-(1-azepanyl)-2-(2-chlorophenyl)ethanamine; oxalic acid IUPAC Name: 2-(azepan-1-yl)-2-(2-chlorophenyl)ethanamine; oxalic acid Traditional Name: [2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]amine; oxalic acid Formula: C30H44Cl2N4O4 MolecularWeight: 595.60076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CN)C2=CC=CC=C2Cl.C1CCCN(CC1)C(CN)C2=CC=CC=C2Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)C(CN)C2=CC=CC=C2Cl.C1CCCN(CC1)C(CN)C2=CC=CC=C2Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/2C14H21ClN2.C2H2O4/c2*15-13-8-4-3-7-12(13)14(11-16)17-9-5-1-2-6-10-17;3-1(4)2(5)6/h2*3-4,7-8,14H,1-2,5-6,9-11,16H2;(H,3,4)(H,5,6)