3-[(E)-(4-butoxyphenyl)methylideneamino]-8-methyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[(E)-(4-butoxyphenyl)methylideneamino]-8-methyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[(E)-(4-butoxyphenyl)methyleneamino]-8-methyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[(E)-(4-butoxyphenyl)methylideneamino]-8-methyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[(E)-(4-butoxyphenyl)methylideneamino]-8-methyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[(E)-(4-butoxybenzylidene)amino]-8-methyl-5H-pyrimid[5,4-b]indol-4-one Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=NN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=N/N2C=NC3=C(C2=O)NC4=C3C=C(C=C4)C

InChI

InChI=1S/C22H22N4O2/c1-3-4-11-28-17-8-6-16(7-9-17)13-24-26-14-23-20-18-12-15(2)5-10-19(18)25-21(20)22(26)27/h5-10,12-14,25H,3-4,11H2,1-2H3/b24-13+