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

Systemtic Name: 4-[4-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-1-methyl-pyrrol-2-yl]-4-oxidanylidene-butyl]benzenecarbonitrile Openeye Name: 4-[4-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-oxo-butyl]benzonitrile CAS Name: 4-[4-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methyl-2-pyrrolyl]-4-oxobutyl]benzonitrile IUPAC Name: 4-[4-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methylpyrrol-2-yl]-4-oxobutyl]benzonitrile Traditional Name: 4-[4-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-keto-butyl]benzonitrile Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(N1C)C(=O)CCCC2=CC=C(C=C2)C#N)(CO)N

Isomeric SMILES

CC(CCC1=CC=C(N1C)C(=O)CCCC2=CC=C(C=C2)C#N)(CO)N

InChI

InChI=1S/C21H27N3O2/c1-21(23,15-25)13-12-18-10-11-19(24(18)2)20(26)5-3-4-16-6-8-17(14-22)9-7-16/h6-11,25H,3-5,12-13,15,23H2,1-2H3