1-[naphthalen-1-yl-(3-phenoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[naphthalen-1-yl-(3-phenoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[1-naphthyl-(3-phenoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[1-naphthalenyl-(3-phenoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[naphthalen-1-yl-(3-phenoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[1-naphthyl-(3-phenoxyphenyl)methyl]-1,4-diazepane Formula: C28H28N2O MolecularWeight: 408.53472

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H28N2O/c1-2-12-24(13-3-1)31-25-14-6-11-23(21-25)28(30-19-8-17-29-18-20-30)27-16-7-10-22-9-4-5-15-26(22)27/h1-7,9-16,21,28-29H,8,17-20H2