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

Systemtic Name: 3-[(E)-(3-octoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[(E)-(3-octoxyphenyl)methyleneamino]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[(E)-(3-octoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[(E)-(3-octoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[(E)-(3-octoxybenzylidene)amino]-5H-pyrimid[5,4-b]indol-4-one Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC(=C1)C=NN2C=NC3=C(C2=O)NC4=CC=CC=C43

Isomeric SMILES

CCCCCCCCOC1=CC=CC(=C1)/C=N/N2C=NC3=C(C2=O)NC4=CC=CC=C43

InChI

InChI=1S/C25H28N4O2/c1-2-3-4-5-6-9-15-31-20-12-10-11-19(16-20)17-27-29-18-26-23-21-13-7-8-14-22(21)28-24(23)25(29)30/h7-8,10-14,16-18,28H,2-6,9,15H2,1H3/b27-17+