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

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (3-bromo-4-methoxy-phenyl)-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-bromo-4-methoxyphenyl)-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3-bromo-4-methoxyphenyl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (3-bromo-4-methoxy-phenyl)-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C18H21BrN2O2S MolecularWeight: 409.34054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O2S/c1-23-17-4-3-15(11-16(17)19)18(22)21-7-2-6-20(8-9-21)12-14-5-10-24-13-14/h3-5,10-11,13H,2,6-9,12H2,1H3