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

Systemtic Name: 4-[4-[5-[3-azanyl-3-(hydroxymethyl)pentyl]-1-methyl-pyrrol-2-yl]-4-oxidanylidene-butyl]benzenecarbonitrile Openeye Name: 4-[4-[5-[3-amino-3-(hydroxymethyl)pentyl]-1-methyl-pyrrol-2-yl]-4-oxo-butyl]benzonitrile CAS Name: 4-[4-[5-[3-amino-3-(hydroxymethyl)pentyl]-1-methyl-2-pyrrolyl]-4-oxobutyl]benzonitrile IUPAC Name: 4-[4-[5-[3-amino-3-(hydroxymethyl)pentyl]-1-methylpyrrol-2-yl]-4-oxobutyl]benzonitrile Traditional Name: 4-[4-[5-(3-amino-3-methylol-pentyl)-1-methyl-pyrrol-2-yl]-4-keto-butyl]benzonitrile Formula: C22H29N3O2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2/c1-3-22(24,16-26)14-13-19-11-12-20(25(19)2)21(27)6-4-5-17-7-9-18(15-23)10-8-17/h7-12,26H,3-6,13-14,16,24H2,1-2H3