3-[4-[(E)-5-(2,6-dimethylpiperidin-1-yl)pent-2-enyl]-3-oxidanylidene-quinoxalin-2-yl]benzenecarboximidamide

Systemtic Name: 3-[4-[(E)-5-(2,6-dimethylpiperidin-1-yl)pent-2-enyl]-3-oxidanylidene-quinoxalin-2-yl]benzenecarboximidamide Openeye Name: 3-[4-[(E)-5-(2,6-dimethyl-1-piperidyl)pent-2-enyl]-3-oxo-quinoxalin-2-yl]benzamidine CAS Name: 3-[4-[(E)-5-(2,6-dimethyl-1-piperidinyl)pent-2-enyl]-3-oxo-2-quinoxalinyl]benzenecarboximidamide IUPAC Name: 3-[4-[(E)-5-(2,6-dimethylpiperidin-1-yl)pent-2-enyl]-3-oxoquinoxalin-2-yl]benzenecarboximidamide Traditional Name: 3-[4-[(E)-5-(2,6-dimethylpiperidino)pent-2-enyl]-3-keto-quinoxalin-2-yl]benzamidine Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CCC=CCN2C3=CC=CC=C3N=C(C2=O)C4=CC(=CC=C4)C(=N)N)C

Isomeric SMILES

CC1CCCC(N1CC/C=C/CN2C3=CC=CC=C3N=C(C2=O)C4=CC(=CC=C4)C(=N)N)C

InChI

InChI=1S/C27H33N5O/c1-19-10-8-11-20(2)31(19)16-6-3-7-17-32-24-15-5-4-14-23(24)30-25(27(32)33)21-12-9-13-22(18-21)26(28)29/h3-5,7,9,12-15,18-20H,6,8,10-11,16-17H2,1-2H3,(H3,28,29)/b7-3+