3-[1-(3-azanylpropyl)indol-3-yl]-4-(3-methylphenyl)pyrrole-2,5-dione

Systemtic Name: 3-[1-(3-azanylpropyl)indol-3-yl]-4-(3-methylphenyl)pyrrole-2,5-dione Openeye Name: 3-[1-(3-aminopropyl)indol-3-yl]-4-(m-tolyl)pyrrole-2,5-dione CAS Name: 3-[1-(3-aminopropyl)-3-indolyl]-4-(3-methylphenyl)pyrrole-2,5-dione IUPAC Name: 3-[1-(3-aminopropyl)indol-3-yl]-4-(3-methylphenyl)pyrrole-2,5-dione Traditional Name: 3-[1-(3-aminopropyl)indol-3-yl]-4-(m-tolyl)-3-pyrroline-2,5-quinone Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(C(=O)NC2=O)C3=CN(C4=CC=CC=C43)CCCN

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(C(=O)NC2=O)C3=CN(C4=CC=CC=C43)CCCN

InChI

InChI=1S/C22H21N3O2/c1-14-6-4-7-15(12-14)19-20(22(27)24-21(19)26)17-13-25(11-5-10-23)18-9-3-2-8-16(17)18/h2-4,6-9,12-13H,5,10-11,23H2,1H3,(H,24,26,27)