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

Systemtic Name: 2-azanyl-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-[2,5-dimethyl-3-[(4-methyl-1-piperazinyl)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-[2,5-dimethyl-3-[(4-methylpiperazino)methyl]phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C26H34N4O2 MolecularWeight: 434.57376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)C)CN4CCN(CC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)C)CN4CCN(CC4)C

InChI

InChI=1S/C26H34N4O2/c1-16-10-18(15-30-8-6-29(5)7-9-30)17(2)19(11-16)23-20(14-27)25(28)32-22-13-26(3,4)12-21(31)24(22)23/h10-11,23H,6-9,12-13,15,28H2,1-5H3