(3-bromanyl-5-methoxy-4-propoxy-phenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-bromanyl-5-methoxy-4-propoxy-phenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (3-bromo-5-methoxy-4-propoxy-phenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (3-bromo-5-methoxy-4-propoxyphenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3-bromo-5-methoxy-4-propoxyphenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (3-bromo-5-methoxy-4-propoxy-phenyl)-(4-p-anisyl-1,4-diazepan-1-yl)methanone Formula: C24H31BrN2O4 MolecularWeight: 491.41794

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC)OC

InChI

InChI=1S/C24H31BrN2O4/c1-4-14-31-23-21(25)15-19(16-22(23)30-3)24(28)27-11-5-10-26(12-13-27)17-18-6-8-20(29-2)9-7-18/h6-9,15-16H,4-5,10-14,17H2,1-3H3