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

Systemtic Name: 3-(5-phenylfuran-2-yl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(5-phenyl-2-furyl)-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(5-phenyl-2-furanyl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(5-phenylfuran-2-yl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(5-phenyl-2-furyl)-1-[4-(2-thenyl)-1,4-diazepan-1-yl]propan-1-one Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCC2=CC=C(O2)C3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCC2=CC=C(O2)C3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C23H26N2O2S/c26-23(12-10-20-9-11-22(27-20)19-6-2-1-3-7-19)25-14-5-13-24(15-16-25)18-21-8-4-17-28-21/h1-4,6-9,11,17H,5,10,12-16,18H2