3-[7-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]indol-11-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

Systemtic Name: 3-[7-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]indol-11-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione Openeye Name: 3-[7-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]indol-11-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione CAS Name: 3-[7-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]indol-11-yl]-4-(1-methyl-3-indolyl)pyrrole-2,5-dione IUPAC Name: 3-[7-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]indol-11-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione Traditional Name: 3-(1-methylindol-3-yl)-4-(7-methylol-7,8,9,10-tetrahydro-6H-azepin[1,2-a]indol-11-yl)-3-pyrroline-2,5-quinone Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CCCC(CN5C6=CC=CC=C64)CO

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CCCC(CN5C6=CC=CC=C64)CO

InChI

InChI=1S/C27H25N3O3/c1-29-14-19(17-8-2-4-10-20(17)29)24-25(27(33)28-26(24)32)23-18-9-3-5-11-21(18)30-13-16(15-31)7-6-12-22(23)30/h2-5,8-11,14,16,31H,6-7,12-13,15H2,1H3,(H,28,32,33)