7-methoxy-3-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 7-methoxy-3-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[(E)-(4-allyloxyphenyl)methyleneamino]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one CAS Name: 7-methoxy-3-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 7-methoxy-3-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[(E)-(4-allyloxybenzylidene)amino]-7-methoxy-5H-pyrimid[5,4-b]indol-4-one Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)N=CC4=CC=C(C=C4)OCC=C

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)/N=C/C4=CC=C(C=C4)OCC=C

InChI

InChI=1S/C21H18N4O3/c1-3-10-28-15-6-4-14(5-7-15)12-23-25-13-22-19-17-9-8-16(27-2)11-18(17)24-20(19)21(25)26/h3-9,11-13,24H,1,10H2,2H3/b23-12+