N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]-4-(1H-indol-2-ylcarbonyl)piperazine-1-carboxamide

Systemtic Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]-4-(1H-indol-2-ylcarbonyl)piperazine-1-carboxamide Openeye Name: N-[(1S)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-4-[1H-indol-2-yl(oxo)methyl]-1-piperazinecarboxamide IUPAC Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide Traditional Name: N-[(1S)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide Formula: C24H25N5O5 MolecularWeight: 463.4858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C24H25N5O5/c1-15(22(30)26-17-6-7-20-21(13-17)34-14-33-20)25-24(32)29-10-8-28(9-11-29)23(31)19-12-16-4-2-3-5-18(16)27-19/h2-7,12-13,15,27H,8-11,14H2,1H3,(H,25,32)(H,26,30)/t15-/m0/s1