3-[3-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(4-methoxyanilino)pyrimidin-4-yl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-(4-methoxyanilino)-4-pyrimidinyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(4-methoxyanilino)pyrimidin-4-yl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(p-anisidino)pyrimidin-4-yl]indol-1-yl]propionitrile Formula: C22H19N5O MolecularWeight: 369.41916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C22H19N5O/c1-28-17-9-7-16(8-10-17)25-22-24-13-11-20(26-22)19-15-27(14-4-12-23)21-6-3-2-5-18(19)21/h2-3,5-11,13,15H,4,14H2,1H3,(H,24,25,26)