2-[3-[(Z)-[1-(3-chloranyl-4-methyl-phenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]indol-1-yl]ethanenitrile

Systemtic Name: 2-[3-[(Z)-[1-(3-chloranyl-4-methyl-phenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]indol-1-yl]ethanenitrile Openeye Name: 2-[3-[(Z)-[1-(3-chloro-4-methyl-phenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]indol-1-yl]acetonitrile CAS Name: 2-[3-[(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-1-indolyl]acetonitrile IUPAC Name: 2-[3-[(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetonitrile Traditional Name: 2-[3-[(Z)-[1-(3-chloro-4-methyl-phenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]indol-1-yl]acetonitrile Formula: C22H15ClN4O3 MolecularWeight: 418.8325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC#N)C(=O)NC2=O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=CN(C4=CC=CC=C43)CC#N)/C(=O)NC2=O)Cl

InChI

InChI=1S/C22H15ClN4O3/c1-13-6-7-15(11-18(13)23)27-21(29)17(20(28)25-22(27)30)10-14-12-26(9-8-24)19-5-3-2-4-16(14)19/h2-7,10-12H,9H2,1H3,(H,25,28,30)/b17-10-