(3-bromanyl-4-methoxy-phenyl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (3-bromo-4-methoxy-phenyl)-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-bromo-4-methoxyphenyl)-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3-bromo-4-methoxyphenyl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (3-bromo-4-methoxy-phenyl)-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C19H22BrN3O2 MolecularWeight: 404.30088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=N3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=N3)Br

InChI

InChI=1S/C19H22BrN3O2/c1-25-18-7-6-15(13-17(18)20)19(24)23-10-4-9-22(11-12-23)14-16-5-2-3-8-21-16/h2-3,5-8,13H,4,9-12,14H2,1H3