5-(aziridin-1-yl)-1-methyl-2-[(E)-3-oxidanylprop-1-enyl]-3-(phenylazanylmethyl)indole-4,7-dione

Systemtic Name: 5-(aziridin-1-yl)-1-methyl-2-[(E)-3-oxidanylprop-1-enyl]-3-(phenylazanylmethyl)indole-4,7-dione Openeye Name: 3-(anilinomethyl)-5-(aziridin-1-yl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methyl-indole-4,7-dione CAS Name: 3-(anilinomethyl)-5-(1-aziridinyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione IUPAC Name: 3-(anilinomethyl)-5-(aziridin-1-yl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione Traditional Name: 3-(anilinomethyl)-5-ethylenimino-2-[(E)-3-hydroxyprop-1-enyl]-1-methyl-indole-4,7-quinone Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C1C(=O)C=C(C2=O)N3CC3)CNC4=CC=CC=C4)C=CCO

Isomeric SMILES

CN1C(=C(C2=C1C(=O)C=C(C2=O)N3CC3)CNC4=CC=CC=C4)/C=C/CO

InChI

InChI=1S/C21H21N3O3/c1-23-16(8-5-11-25)15(13-22-14-6-3-2-4-7-14)19-20(23)18(26)12-17(21(19)27)24-9-10-24/h2-8,12,22,25H,9-11,13H2,1H3/b8-5+