9-chloranyl-3-[(E)-(4-pentoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 9-chloranyl-3-[(E)-(4-pentoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 9-chloro-3-[(E)-(4-pentoxyphenyl)methyleneamino]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 9-chloro-3-[(E)-(4-pentoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 9-chloro-3-[(E)-(4-pentoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[(E)-(4-amoxybenzylidene)amino]-9-chloro-5H-pyrimid[5,4-b]indol-4-one Formula: C22H21ClN4O2 MolecularWeight: 408.88074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=NN2C=NC3=C(C2=O)NC4=C3C(=CC=C4)Cl

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=N/N2C=NC3=C(C2=O)NC4=C3C(=CC=C4)Cl

InChI

InChI=1S/C22H21ClN4O2/c1-2-3-4-12-29-16-10-8-15(9-11-16)13-25-27-14-24-20-19-17(23)6-5-7-18(19)26-21(20)22(27)28/h5-11,13-14,26H,2-4,12H2,1H3/b25-13+