4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-[(E)-(4-methylpiperazin-1-yl)methylideneamino]-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-[(E)-(4-methylpiperazin-1-yl)methylideneamino]-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-[(E)-(4-methylpiperazin-1-yl)methyleneamino]-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-[(E)-(4-methyl-1-piperazinyl)methylideneamino]-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-[(E)-(4-methylpiperazin-1-yl)methylideneamino]-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 4-(3,4-dimethoxyphenyl)-5-keto-7,7-dimethyl-2-[(E)-(4-methylpiperazino)methyleneamino]-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N=CN3CCN(CC3)C)C#N)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)/N=C/N3CCN(CC3)C)C#N)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C

InChI

InChI=1S/C26H32N4O4/c1-26(2)13-19(31)24-22(14-26)34-25(28-16-30-10-8-29(3)9-11-30)18(15-27)23(24)17-6-7-20(32-4)21(12-17)33-5/h6-7,12,16,23H,8-11,13-14H2,1-5H3/b28-16+