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

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (3-bromo-4-methoxy-phenyl)-[4-(2-furylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-bromo-4-methoxyphenyl)-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3-bromo-4-methoxyphenyl)-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (3-bromo-4-methoxy-phenyl)-[4-(2-furfuryl)-1,4-diazepan-1-yl]methanone Formula: C18H21BrN2O3 MolecularWeight: 393.27494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CO3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CO3)Br

InChI

InChI=1S/C18H21BrN2O3/c1-23-17-6-5-14(12-16(17)19)18(22)21-8-3-7-20(9-10-21)13-15-4-2-11-24-15/h2,4-6,11-12H,3,7-10,13H2,1H3