3-[3-[(dibutylamino)methyl]-1,2,4-oxadiazol-5-yl]-7-phenylmethoxy-chromen-2-one

Systemtic Name: 3-[3-[(dibutylamino)methyl]-1,2,4-oxadiazol-5-yl]-7-phenylmethoxy-chromen-2-one Openeye Name: 7-benzyloxy-3-[3-[(dibutylamino)methyl]-1,2,4-oxadiazol-5-yl]chromen-2-one CAS Name: 3-[3-[(dibutylamino)methyl]-1,2,4-oxadiazol-5-yl]-7-phenylmethoxy-1-benzopyran-2-one IUPAC Name: 3-[3-[(dibutylamino)methyl]-1,2,4-oxadiazol-5-yl]-7-phenylmethoxychromen-2-one Traditional Name: 7-benzoxy-3-[3-[(dibutylamino)methyl]-1,2,4-oxadiazol-5-yl]coumarin Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC1=NOC(=N1)C2=CC3=C(C=C(C=C3)OCC4=CC=CC=C4)OC2=O

Isomeric SMILES

CCCCN(CCCC)CC1=NOC(=N1)C2=CC3=C(C=C(C=C3)OCC4=CC=CC=C4)OC2=O

InChI

InChI=1S/C27H31N3O4/c1-3-5-14-30(15-6-4-2)18-25-28-26(34-29-25)23-16-21-12-13-22(17-24(21)33-27(23)31)32-19-20-10-8-7-9-11-20/h7-13,16-17H,3-6,14-15,18-19H2,1-2H3