N-[4-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)ethanamide; ethanedioic acid

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)ethanamide; ethanedioic acid Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(tetrahydrofuran-2-ylmethylamino)acetamide; oxalic acid CAS Name: N-[4-(1-azepanyl)phenyl]-2-(2-oxolanylmethylamino)acetamide; oxalic acid IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide; oxalic acid Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(tetrahydrofurfurylamino)acetamide; oxalic acid Formula: C21H31N3O6 MolecularWeight: 421.48734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CNCC3CCCO3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CNCC3CCCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29N3O2.C2H2O4/c23-19(15-20-14-18-6-5-13-24-18)21-16-7-9-17(10-8-16)22-11-3-1-2-4-12-22;3-1(4)2(5)6/h7-10,18,20H,1-6,11-15H2,(H,21,23);(H,3,4)(H,5,6)