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

Systemtic Name: 3-[6-(aminomethyl)-4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-quinoxalin-2-yl]benzenecarboximidamide Openeye Name: 3-[6-(aminomethyl)-4-[5-(2,6-dimethyl-1-piperidyl)pentyl]-3-oxo-quinoxalin-2-yl]benzamidine CAS Name: 3-[6-(aminomethyl)-4-[5-(2,6-dimethyl-1-piperidinyl)pentyl]-3-oxo-2-quinoxalinyl]benzenecarboximidamide IUPAC Name: 3-[6-(aminomethyl)-4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxoquinoxalin-2-yl]benzenecarboximidamide Traditional Name: 3-[6-(aminomethyl)-4-[5-(2,6-dimethylpiperidino)pentyl]-3-keto-quinoxalin-2-yl]benzamidine Formula: C28H38N6O MolecularWeight: 474.64092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N6O/c1-19-8-6-9-20(2)33(19)14-4-3-5-15-34-25-16-21(18-29)12-13-24(25)32-26(28(34)35)22-10-7-11-23(17-22)27(30)31/h7,10-13,16-17,19-20H,3-6,8-9,14-15,18,29H2,1-2H3,(H3,30,31)