methyl 3-[1-[[(E)-3-(6-azanylpyridin-3-yl)prop-2-enoyl]-methyl-amino]ethyl]-1H-indole-7-carboxylate

Systemtic Name: methyl 3-[1-[[(E)-3-(6-azanylpyridin-3-yl)prop-2-enoyl]-methyl-amino]ethyl]-1H-indole-7-carboxylate Openeye Name: methyl 3-[1-[[(E)-3-(6-amino-3-pyridyl)prop-2-enoyl]-methyl-amino]ethyl]-1H-indole-7-carboxylate CAS Name: 3-[1-[[(E)-3-(6-amino-3-pyridinyl)-1-oxoprop-2-enyl]-methylamino]ethyl]-1H-indole-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[1-[[(E)-3-(6-aminopyridin-3-yl)prop-2-enoyl]-methylamino]ethyl]-1H-indole-7-carboxylate Traditional Name: 3-[1-[[(E)-3-(6-amino-3-pyridyl)acryloyl]-methyl-amino]ethyl]-1H-indole-7-carboxylic acid methyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CNC2=C1C=CC=C2C(=O)OC)N(C)C(=O)C=CC3=CN=C(C=C3)N

Isomeric SMILES

CC(C1=CNC2=C1C=CC=C2C(=O)OC)N(C)C(=O)/C=C/C3=CN=C(C=C3)N

InChI

InChI=1S/C21H22N4O3/c1-13(25(2)19(26)10-8-14-7-9-18(22)23-11-14)17-12-24-20-15(17)5-4-6-16(20)21(27)28-3/h4-13,24H,1-3H3,(H2,22,23)/b10-8+