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

Systemtic Name: 2-azanyl-4-[3-[(4-ethylpiperazin-1-yl)methyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-[3-[(4-ethylpiperazin-1-yl)methyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-[3-[(4-ethyl-1-piperazinyl)methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(4-ethylpiperazin-1-yl)methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-[3-[(4-ethylpiperazino)methyl]-2,5-dimethyl-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C27H36N4O2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C(=CC(=C2)C)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)C

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C(=CC(=C2)C)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)C

InChI

InChI=1S/C27H36N4O2/c1-6-30-7-9-31(10-8-30)16-19-11-17(2)12-20(18(19)3)24-21(15-28)26(29)33-23-14-27(4,5)13-22(32)25(23)24/h11-12,24H,6-10,13-14,16,29H2,1-5H3