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

Systemtic Name: 3-[(E)-(4-butoxyphenyl)methylideneamino]-8-chloranyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[(E)-(4-butoxyphenyl)methyleneamino]-8-chloro-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[(E)-(4-butoxyphenyl)methylideneamino]-8-chloro-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[(E)-(4-butoxyphenyl)methylideneamino]-8-chloro-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[(E)-(4-butoxybenzylidene)amino]-8-chloro-5H-pyrimid[5,4-b]indol-4-one Formula: C21H19ClN4O2 MolecularWeight: 394.85416

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O2/c1-2-3-10-28-16-7-4-14(5-8-16)12-24-26-13-23-19-17-11-15(22)6-9-18(17)25-20(19)21(26)27/h4-9,11-13,25H,2-3,10H2,1H3/b24-12+