3-[(E)-(4-butoxyphenyl)methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[(E)-(4-butoxyphenyl)methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[(E)-(4-butoxyphenyl)methyleneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[(E)-(4-butoxyphenyl)methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[(E)-(4-butoxyphenyl)methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[(E)-(4-butoxybenzylidene)amino]-2-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=CC=CC=C43)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=N/N2C(=NC3=C(C2=O)NC4=CC=CC=C43)C

InChI

InChI=1S/C22H22N4O2/c1-3-4-13-28-17-11-9-16(10-12-17)14-23-26-15(2)24-20-18-7-5-6-8-19(18)25-21(20)22(26)27/h5-12,14,25H,3-4,13H2,1-2H3/b23-14+