methyl 5-bromanyl-3-[2-[(3S)-4-(4-methoxyphenyl)-3-methyl-piperazin-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[2-[(3S)-4-(4-methoxyphenyl)-3-methyl-piperazin-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[2-[(3S)-4-(4-methoxyphenyl)-3-methyl-piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-[(3S)-4-(4-methoxyphenyl)-3-methyl-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[2-[(3S)-4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[2-[(3S)-4-(4-methoxyphenyl)-3-methyl-piperazino]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C24H27BrN4O4 MolecularWeight: 515.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)OC)CC(=O)NC3=C(NC4=C3C=C(C=C4)Br)C(=O)OC

Isomeric SMILES

C[C@H]1CN(CCN1C2=CC=C(C=C2)OC)CC(=O)NC3=C(NC4=C3C=C(C=C4)Br)C(=O)OC

InChI

InChI=1S/C24H27BrN4O4/c1-15-13-28(10-11-29(15)17-5-7-18(32-2)8-6-17)14-21(30)27-22-19-12-16(25)4-9-20(19)26-23(22)24(31)33-3/h4-9,12,15,26H,10-11,13-14H2,1-3H3,(H,27,30)/t15-/m0/s1