2-azanyl-4-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-6-methyl-pyridine-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-6-methyl-nicotinonitrile Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)N)C#N)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=C(C(=N1)N)C#N)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H17N3O3/c1-12-19(13-3-6-15(25-2)7-4-13)20(16(10-22)21(23)24-12)14-5-8-17-18(9-14)27-11-26-17/h3-9H,11H2,1-2H3,(H2,23,24)