methyl 5-bromanyl-3-[2-(3,3-dimethylpiperidin-1-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[2-(3,3-dimethylpiperidin-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[2-(3,3-dimethyl-1-piperidyl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-(3,3-dimethyl-1-piperidinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[2-(3,3-dimethylpiperidin-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[2-(3,3-dimethylpiperidino)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C19H24BrN3O3 MolecularWeight: 422.31616

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1)CC(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC)C

Isomeric SMILES

CC1(CCCN(C1)CC(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC)C

InChI

InChI=1S/C19H24BrN3O3/c1-19(2)7-4-8-23(11-19)10-15(24)22-16-13-9-12(20)5-6-14(13)21-17(16)18(25)26-3/h5-6,9,21H,4,7-8,10-11H2,1-3H3,(H,22,24)