3-[4-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-1-methyl-pyrrol-2-yl]-4-oxidanylidene-butyl]benzene-1,2-dicarbonitrile

Systemtic Name: 3-[4-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-1-methyl-pyrrol-2-yl]-4-oxidanylidene-butyl]benzene-1,2-dicarbonitrile Openeye Name: 3-[4-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-oxo-butyl]phthalonitrile CAS Name: 3-[4-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methyl-2-pyrrolyl]-4-oxobutyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-[4-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methylpyrrol-2-yl]-4-oxobutyl]benzene-1,2-dicarbonitrile Traditional Name: 3-[4-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-keto-butyl]phthalonitrile Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(N1C)C(=O)CCCC2=CC=CC(=C2C#N)C#N)(CO)N

Isomeric SMILES

CC(CCC1=CC=C(N1C)C(=O)CCCC2=CC=CC(=C2C#N)C#N)(CO)N

InChI

InChI=1S/C22H26N4O2/c1-22(25,15-27)12-11-18-9-10-20(26(18)2)21(28)8-4-6-16-5-3-7-17(13-23)19(16)14-24/h3,5,7,9-10,27H,4,6,8,11-12,15,25H2,1-2H3