2-azanyl-4-[3-[(4-ethylpiperazin-1-yl)methyl]-2,5-dimethyl-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-[(4-ethylpiperazin-1-yl)methyl]-2,5-dimethyl-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-[3-[(4-ethylpiperazin-1-yl)methyl]-2,5-dimethyl-phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-[3-[(4-ethyl-1-piperazinyl)methyl]-2,5-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(4-ethylpiperazin-1-yl)methyl]-2,5-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-[3-[(4-ethylpiperazino)methyl]-2,5-dimethyl-phenyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C25H32N4O2 MolecularWeight: 420.54718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C(=CC(=C2)C)C3C(=C(OC4=C3C(=O)CCC4)N)C#N)C

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C(=CC(=C2)C)C3C(=C(OC4=C3C(=O)CCC4)N)C#N)C

InChI

InChI=1S/C25H32N4O2/c1-4-28-8-10-29(11-9-28)15-18-12-16(2)13-19(17(18)3)23-20(14-26)25(27)31-22-7-5-6-21(30)24(22)23/h12-13,23H,4-11,15,27H2,1-3H3