N-[4-(azepan-1-yl)phenyl]-2-[(phenylmethyl)amino]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[(phenylmethyl)amino]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(benzylamino)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[(phenylmethyl)amino]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(benzylamino)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(benzylamino)acetamide Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CNCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CNCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c25-21(17-22-16-18-8-4-3-5-9-18)23-19-10-12-20(13-11-19)24-14-6-1-2-7-15-24/h3-5,8-13,22H,1-2,6-7,14-17H2,(H,23,25)