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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridine-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-[3-(1-imidazolyl)propyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(3-imidazol-1-ylpropyl)-5-keto-7-methyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C(=O)N1CCCN5C=CN=C5

Isomeric SMILES

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C(=O)N1CCCN5C=CN=C5

InChI

InChI=1S/C23H21N5O4/c1-14-9-19-21(23(29)28(14)7-2-6-27-8-5-26-12-27)20(16(11-24)22(25)32-19)15-3-4-17-18(10-15)31-13-30-17/h3-5,8-10,12,20H,2,6-7,13,25H2,1H3