N-[2-(azepan-1-yl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamide; ethanedioic acid

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamide; ethanedioic acid Openeye Name: N-[2-(azepan-1-yl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide; oxalic acid CAS Name: N-[2-(1-azepanyl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide; oxalic acid IUPAC Name: N-[2-(azepan-1-yl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide; oxalic acid Traditional Name: N-[2-(azepan-1-yl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide; oxalic acid Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CN3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CN3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H29N3O.C2H2O4/c27-23(18-25-16-13-19-9-3-4-10-20(19)17-25)24-21-11-5-6-12-22(21)26-14-7-1-2-8-15-26;3-1(4)2(5)6/h3-6,9-12H,1-2,7-8,13-18H2,(H,24,27);(H,3,4)(H,5,6)