N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide

Systemtic Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: N-[(1S)-1-(1,3-benzodioxol-5-ylcarbamoyl)-2-methyl-butyl]-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxopentan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxopentan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: N-[(1S)-1-(1,3-benzodioxol-5-ylcarbamoyl)-2-methyl-butyl]-9H-$b-carboline-3-carboxamide Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3=NC=C4C(=C3)C5=CC=CC=C5N4

Isomeric SMILES

CCC(C)[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3=NC=C4C(=C3)C5=CC=CC=C5N4

InChI

InChI=1S/C25H24N4O4/c1-3-14(2)23(25(31)27-15-8-9-21-22(10-15)33-13-32-21)29-24(30)19-11-17-16-6-4-5-7-18(16)28-20(17)12-26-19/h4-12,14,23,28H,3,13H2,1-2H3,(H,27,31)(H,29,30)/t14?,23-/m0/s1