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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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