1-[(3-methoxy-4-phenylmethoxy-phenyl)-(3-methylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-(3-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(m-tolyl)methyl]-1,4-diazepane CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(m-tolyl)methyl]-1,4-diazepane Formula: C27H32N2O2 MolecularWeight: 416.55518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCNCC4

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCNCC4

InChI

InChI=1S/C27H32N2O2/c1-21-8-6-11-23(18-21)27(29-16-7-14-28-15-17-29)24-12-13-25(26(19-24)30-2)31-20-22-9-4-3-5-10-22/h3-6,8-13,18-19,27-28H,7,14-17,20H2,1-2H3