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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=CC=CC=C3N2)C(=O)NCCC(=O)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=CC=CC=C3N2)C(=O)NCCC(=O)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H27N5O5/c31-23(27-18-5-6-21-22(16-18)35-14-13-34-21)7-8-26-25(33)30-11-9-29(10-12-30)24(32)20-15-17-3-1-2-4-19(17)28-20/h1-6,15-16,28H,7-14H2,(H,26,33)(H,27,31)