[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(3-phenylmethoxyphenyl)methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(3-phenylmethoxyphenyl)methanone Openeye Name: (3-benzyloxyphenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(3-phenylmethoxyphenyl)methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(3-phenylmethoxyphenyl)methanone Traditional Name: (3-benzoxyphenyl)-(4-p-anisyl-1,4-diazepan-1-yl)methanone Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3/c1-31-25-13-11-22(12-14-25)20-28-15-6-16-29(18-17-28)27(30)24-9-5-10-26(19-24)32-21-23-7-3-2-4-8-23/h2-5,7-14,19H,6,15-18,20-21H2,1H3