3-[3-(3-carbamimidoylphenyl)-2-oxidanylidene-quinoxalin-1-yl]-N-[(2,6-dimethylpiperidin-1-yl)methyl]propanamide

Systemtic Name: 3-[3-(3-carbamimidoylphenyl)-2-oxidanylidene-quinoxalin-1-yl]-N-[(2,6-dimethylpiperidin-1-yl)methyl]propanamide Openeye Name: 3-[3-(3-carbamimidoylphenyl)-2-oxo-quinoxalin-1-yl]-N-[(2,6-dimethyl-1-piperidyl)methyl]propanamide CAS Name: 3-[3-(3-carbamimidoylphenyl)-2-oxo-1-quinoxalinyl]-N-[(2,6-dimethyl-1-piperidinyl)methyl]propanamide IUPAC Name: 3-[3-(3-carbamimidoylphenyl)-2-oxoquinoxalin-1-yl]-N-[(2,6-dimethylpiperidin-1-yl)methyl]propanamide Traditional Name: 3-[3-(3-amidinophenyl)-2-keto-quinoxalin-1-yl]-N-[(2,6-dimethylpiperidino)methyl]propionamide Formula: C26H32N6O2 MolecularWeight: 460.57128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CNC(=O)CCN2C3=CC=CC=C3N=C(C2=O)C4=CC(=CC=C4)C(=N)N)C

Isomeric SMILES

CC1CCCC(N1CNC(=O)CCN2C3=CC=CC=C3N=C(C2=O)C4=CC(=CC=C4)C(=N)N)C

InChI

InChI=1S/C26H32N6O2/c1-17-7-5-8-18(2)32(17)16-29-23(33)13-14-31-22-12-4-3-11-21(22)30-24(26(31)34)19-9-6-10-20(15-19)25(27)28/h3-4,6,9-12,15,17-18H,5,7-8,13-14,16H2,1-2H3,(H3,27,28)(H,29,33)