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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=N1)C(=O)NC(C(C)C)C(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5N2

Isomeric SMILES

CC1=C2C(=CC(=N1)C(=O)NC(C(C)C)C(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5N2

InChI

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