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

Systemtic Name: methyl 2-azanyl-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: methyl 2-amino-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate 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-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-[2,5-dimethyl-3-[(4-methylpiperazino)methyl]phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid methyl ester Formula: C27H37N3O4 MolecularWeight: 467.60038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C3=C(CC(CC3=O)(C)C)OC(=C2C(=O)OC)N)C)CN4CCN(CC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C3=C(CC(CC3=O)(C)C)OC(=C2C(=O)OC)N)C)CN4CCN(CC4)C

InChI

InChI=1S/C27H37N3O4/c1-16-11-18(15-30-9-7-29(5)8-10-30)17(2)19(12-16)22-23-20(31)13-27(3,4)14-21(23)34-25(28)24(22)26(32)33-6/h11-12,22H,7-10,13-15,28H2,1-6H3