(2-bromanyl-5-methoxy-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-bromanyl-5-methoxy-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(2-bromo-5-methoxy-phenyl)methanone CAS Name: (2-bromo-5-methoxyphenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(2-bromo-5-methoxyphenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(2-bromo-5-methoxy-phenyl)methanone Formula: C20H23BrN2O2 MolecularWeight: 403.31282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H23BrN2O2/c1-25-17-8-9-19(21)18(14-17)20(24)23-11-5-10-22(12-13-23)15-16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13,15H2,1H3