3-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-6-(hydroxymethyl)-3-oxidanylidene-quinoxalin-2-yl]benzenecarboximidamide

Systemtic Name: 3-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-6-(hydroxymethyl)-3-oxidanylidene-quinoxalin-2-yl]benzenecarboximidamide Openeye Name: 3-[4-[5-(2,6-dimethyl-1-piperidyl)pentyl]-6-(hydroxymethyl)-3-oxo-quinoxalin-2-yl]benzamidine CAS Name: 3-[4-[5-(2,6-dimethyl-1-piperidinyl)pentyl]-6-(hydroxymethyl)-3-oxo-2-quinoxalinyl]benzenecarboximidamide IUPAC Name: 3-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-6-(hydroxymethyl)-3-oxoquinoxalin-2-yl]benzenecarboximidamide Traditional Name: 3-[4-[5-(2,6-dimethylpiperidino)pentyl]-3-keto-6-methylol-quinoxalin-2-yl]benzamidine Formula: C28H37N5O2 MolecularWeight: 475.62568

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CCCCCN2C3=C(C=CC(=C3)CO)N=C(C2=O)C4=CC(=CC=C4)C(=N)N)C

Isomeric SMILES

CC1CCCC(N1CCCCCN2C3=C(C=CC(=C3)CO)N=C(C2=O)C4=CC(=CC=C4)C(=N)N)C

InChI

InChI=1S/C28H37N5O2/c1-19-8-6-9-20(2)32(19)14-4-3-5-15-33-25-16-21(18-34)12-13-24(25)31-26(28(33)35)22-10-7-11-23(17-22)27(29)30/h7,10-13,16-17,19-20,34H,3-6,8-9,14-15,18H2,1-2H3,(H3,29,30)