1-[(3-ethoxy-4-methoxy-phenyl)-naphthalen-1-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)-naphthalen-1-yl-methyl]-1,4-diazepane Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(1-naphthyl)methyl]-1,4-diazepane CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)-(1-naphthalenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane Traditional Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(1-naphthyl)methyl]-1,4-diazepane Formula: C25H30N2O2 MolecularWeight: 390.5179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=CC3=CC=CC=C32)N4CCCNCC4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CC3=CC=CC=C32)N4CCCNCC4)OC

InChI

InChI=1S/C25H30N2O2/c1-3-29-24-18-20(12-13-23(24)28-2)25(27-16-7-14-26-15-17-27)22-11-6-9-19-8-4-5-10-21(19)22/h4-6,8-13,18,25-26H,3,7,14-17H2,1-2H3