N-[2-(4-methylphenoxy)phenyl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-[2-(4-methylphenoxy)phenyl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide CAS Name: N-[2-(4-methylphenoxy)phenyl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CN3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CN3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2/c1-22-12-14-24(15-13-22)32-26-11-6-5-10-25(26)28-27(31)21-30-17-7-16-29(18-19-30)20-23-8-3-2-4-9-23/h2-6,8-15H,7,16-21H2,1H3,(H,28,31)