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

Systemtic Name: methyl 5-methyl-3-[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-methyl-3-[[2-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-methyl-3-[[2-[(3S)-3-methyl-4-(3-methylphenyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-3-[[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-methyl-3-[[2-[(3S)-3-methyl-4-(m-tolyl)piperazino]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3/c1-16-6-5-7-19(12-16)29-11-10-28(14-18(29)3)15-22(30)27-23-20-13-17(2)8-9-21(20)26-24(23)25(31)32-4/h5-9,12-13,18,26H,10-11,14-15H2,1-4H3,(H,27,30)/t18-/m0/s1