3-[1-(2-azanylethyl)-6-bromanyl-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

Systemtic Name: 3-[1-(2-azanylethyl)-6-bromanyl-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Openeye Name: 3-[1-(2-aminoethyl)-6-bromo-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione CAS Name: 3-[1-(2-aminoethyl)-6-bromo-3-indolyl]-4-(1H-indol-3-yl)pyrrole-2,5-dione IUPAC Name: 3-[1-(2-aminoethyl)-6-bromoindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[1-(2-aminoethyl)-6-bromo-indol-3-yl]-4-(1H-indol-3-yl)-3-pyrroline-2,5-quinone Formula: C22H17BrN4O2 MolecularWeight: 449.29998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)Br)CCN

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)Br)CCN

InChI

InChI=1S/C22H17BrN4O2/c23-12-5-6-14-16(11-27(8-7-24)18(14)9-12)20-19(21(28)26-22(20)29)15-10-25-17-4-2-1-3-13(15)17/h1-6,9-11,25H,7-8,24H2,(H,26,28,29)