N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl]-4-(1H-indol-2-ylcarbonyl)piperazine-1-carboxamide

Systemtic Name: N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl]-4-(1H-indol-2-ylcarbonyl)piperazine-1-carboxamide Openeye Name: N-[(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl]-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide CAS Name: N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]-4-[1H-indol-2-yl(oxo)methyl]-1-piperazinecarboxamide IUPAC Name: N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide Traditional Name: N-[(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl]-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide Formula: C25H27N5O5 MolecularWeight: 477.51238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)NC(=O)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCCO2)NC(=O)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C25H27N5O5/c1-16(23(31)27-18-6-7-21-22(15-18)35-13-12-34-21)26-25(33)30-10-8-29(9-11-30)24(32)20-14-17-4-2-3-5-19(17)28-20/h2-7,14-16,28H,8-13H2,1H3,(H,26,33)(H,27,31)/t16-/m0/s1