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

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (3-bromo-4-methoxy-phenyl)-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-bromo-4-methoxyphenyl)-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3-bromo-4-methoxyphenyl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (3-bromo-4-methoxy-phenyl)-[4-(3-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=CN=CC=C3)Br

Isomeric SMILES

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

InChI

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