methyl 3-[[[(E)-3-(6-azanylpyridin-3-yl)prop-2-enoyl]-methyl-amino]methyl]-1-methyl-indole-6-carboxylate

Systemtic Name: methyl 3-[[[(E)-3-(6-azanylpyridin-3-yl)prop-2-enoyl]-methyl-amino]methyl]-1-methyl-indole-6-carboxylate Openeye Name: methyl 3-[[[(E)-3-(6-amino-3-pyridyl)prop-2-enoyl]-methyl-amino]methyl]-1-methyl-indole-6-carboxylate CAS Name: 3-[[[(E)-3-(6-amino-3-pyridinyl)-1-oxoprop-2-enyl]-methylamino]methyl]-1-methyl-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[[(E)-3-(6-aminopyridin-3-yl)prop-2-enoyl]-methylamino]methyl]-1-methylindole-6-carboxylate Traditional Name: 3-[[[(E)-3-(6-amino-3-pyridyl)acryloyl]-methyl-amino]methyl]-1-methyl-indole-6-carboxylic acid methyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)C(=O)OC)CN(C)C(=O)C=CC3=CN=C(C=C3)N

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)C(=O)OC)CN(C)C(=O)/C=C/C3=CN=C(C=C3)N

InChI

InChI=1S/C21H22N4O3/c1-24-12-16(17-7-6-15(10-18(17)24)21(27)28-3)13-25(2)20(26)9-5-14-4-8-19(22)23-11-14/h4-12H,13H2,1-3H3,(H2,22,23)/b9-5+