3-methyl-4-[[3-(3-oxidanylpropyl)-1H-indol-5-yl]methylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-methyl-4-[[3-(3-oxidanylpropyl)-1H-indol-5-yl]methylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[[3-(3-hydroxypropyl)-1H-indol-5-yl]methylamino]-4-methyl-cyclobut-3-ene-1,2-dione CAS Name: 3-[[3-(3-hydroxypropyl)-1H-indol-5-yl]methylamino]-4-methylcyclobut-3-ene-1,2-dione IUPAC Name: 3-[[3-(3-hydroxypropyl)-1H-indol-5-yl]methylamino]-4-methylcyclobut-3-ene-1,2-dione Traditional Name: 3-[[3-(3-hydroxypropyl)-1H-indol-5-yl]methylamino]-4-methyl-cyclobut-3-ene-1,2-quinone Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C1=O)NCC2=CC3=C(C=C2)NC=C3CCCO

Isomeric SMILES

CC1=C(C(=O)C1=O)NCC2=CC3=C(C=C2)NC=C3CCCO

InChI

InChI=1S/C17H18N2O3/c1-10-15(17(22)16(10)21)19-8-11-4-5-14-13(7-11)12(9-18-14)3-2-6-20/h4-5,7,9,18-20H,2-3,6,8H2,1H3