methyl 1-[2-oxidanylidene-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]indole-3-carboxylate CAS Name: 1-[2-oxo-2-[(2-phenyl-5-pyrimidinyl)amino]ethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]indole-3-carboxylate Traditional Name: 1-[2-keto-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]indole-3-carboxylic acid methyl ester Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CN=C(N=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CN=C(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O3/c1-29-22(28)18-13-26(19-10-6-5-9-17(18)19)14-20(27)25-16-11-23-21(24-12-16)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,25,27)