3-[2-(1H-indol-3-ylmethyl)-3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-oxidanylidene-pyrazin-4-ium-1-yl]propanenitrile

Systemtic Name: 3-[2-(1H-indol-3-ylmethyl)-3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-oxidanylidene-pyrazin-4-ium-1-yl]propanenitrile Openeye Name: 3-[2-(1H-indol-3-ylmethyl)-5-isobutyl-3-methoxy-4-oxido-6-oxo-pyrazin-4-ium-1-yl]propanenitrile CAS Name: 3-[2-(1H-indol-3-ylmethyl)-3-methoxy-5-(2-methylpropyl)-4-oxido-6-oxo-1-pyrazin-4-iumyl]propanenitrile IUPAC Name: 3-[2-(1H-indol-3-ylmethyl)-3-methoxy-5-(2-methylpropyl)-4-oxido-6-oxopyrazin-4-ium-1-yl]propanenitrile Traditional Name: 3-[2-(1H-indol-3-ylmethyl)-5-isobutyl-6-keto-3-methoxy-4-oxido-pyrazin-4-ium-1-yl]propionitrile Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N(C1=O)CCC#N)CC2=CNC3=CC=CC=C32)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N(C1=O)CCC#N)CC2=CNC3=CC=CC=C32)OC)[O-]

InChI

InChI=1S/C21H24N4O3/c1-14(2)11-18-20(26)24(10-6-9-22)19(21(28-3)25(18)27)12-15-13-23-17-8-5-4-7-16(15)17/h4-5,7-8,13-14,23H,6,10-12H2,1-3H3