(3-bromanyl-5-methoxy-4-propoxy-phenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-bromanyl-5-methoxy-4-propoxy-phenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (3-bromo-5-methoxy-4-propoxy-phenyl)-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-bromo-5-methoxy-4-propoxyphenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3-bromo-5-methoxy-4-propoxyphenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (3-bromo-5-methoxy-4-propoxy-phenyl)-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C24H31BrN2O3 MolecularWeight: 475.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCCN(CC2)CC3=CC=CC=C3C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCCN(CC2)CC3=CC=CC=C3C)OC

InChI

InChI=1S/C24H31BrN2O3/c1-4-14-30-23-21(25)15-20(16-22(23)29-3)24(28)27-11-7-10-26(12-13-27)17-19-9-6-5-8-18(19)2/h5-6,8-9,15-16H,4,7,10-14,17H2,1-3H3