2-azanyl-4-(1,3-benzodioxol-5-yl)-7-methyl-6-[(4-methylphenyl)methyl]-5-oxidanylidene-4H-pyrano[3,2-c]pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-7-methyl-6-[(4-methylphenyl)methyl]-5-oxidanylidene-4H-pyrano[3,2-c]pyridine-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-(p-tolylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-7-methyl-6-[(4-methylphenyl)methyl]-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-7-methyl-6-[(4-methylphenyl)methyl]-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5-keto-7-methyl-6-(4-methylbenzyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=CC3=C(C2=O)C(C(=C(O3)N)C#N)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=CC3=C(C2=O)C(C(=C(O3)N)C#N)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C25H21N3O4/c1-14-3-5-16(6-4-14)12-28-15(2)9-21-23(25(28)29)22(18(11-26)24(27)32-21)17-7-8-19-20(10-17)31-13-30-19/h3-10,22H,12-13,27H2,1-2H3