3-[5-(4-methoxyphenyl)furan-2-yl]-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-[5-(4-methoxyphenyl)furan-2-yl]-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-[5-(4-methoxyphenyl)-2-furyl]-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-[5-(4-methoxyphenyl)-2-furanyl]-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-[5-(4-methoxyphenyl)furan-2-yl]-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-[5-(4-methoxyphenyl)-2-furyl]-1-[4-(2-thenyl)-1,4-diazepan-1-yl]propan-1-one Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(O2)CCC(=O)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(O2)CCC(=O)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C24H28N2O3S/c1-28-20-7-5-19(6-8-20)23-11-9-21(29-23)10-12-24(27)26-14-3-13-25(15-16-26)18-22-4-2-17-30-22/h2,4-9,11,17H,3,10,12-16,18H2,1H3