ethanedioic acid; 2-(4-methyl-1,4-diazepan-1-yl)-N-(4-methylphenyl)propanamide

Systemtic Name: ethanedioic acid; 2-(4-methyl-1,4-diazepan-1-yl)-N-(4-methylphenyl)propanamide Openeye Name: 2-(4-methyl-1,4-diazepan-1-yl)-N-(p-tolyl)propanamide; oxalic acid CAS Name: 2-(4-methyl-1,4-diazepan-1-yl)-N-(4-methylphenyl)propanamide; oxalic acid IUPAC Name: 2-(4-methyl-1,4-diazepan-1-yl)-N-(4-methylphenyl)propanamide; oxalic acid Traditional Name: 2-(4-methyl-1,4-diazepan-1-yl)-N-(p-tolyl)propionamide; oxalic acid Formula: C18H27N3O5 MolecularWeight: 365.42408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)N2CCCN(CC2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)N2CCCN(CC2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25N3O.C2H2O4/c1-13-5-7-15(8-6-13)17-16(20)14(2)19-10-4-9-18(3)11-12-19;3-1(4)2(5)6/h5-8,14H,4,9-12H2,1-3H3,(H,17,20);(H,3,4)(H,5,6)