N'-azanyl-2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-quinoxaline-6-carboximidamide

Systemtic Name: N'-azanyl-2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-quinoxaline-6-carboximidamide Openeye Name: N'-amino-2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethyl-1-piperidyl)pentyl]-3-oxo-quinoxaline-6-carboxamidine CAS Name: N'-amino-2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethyl-1-piperidinyl)pentyl]-3-oxo-6-quinoxalinecarboximidamide IUPAC Name: N'-amino-2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxoquinoxaline-6-carboximidamide Traditional Name: 2-(3-amidinophenyl)-N'-amino-4-[5-(2,6-dimethylpiperidino)pentyl]-3-keto-quinoxaline-6-carboxamidine Formula: C28H38N8O MolecularWeight: 502.65432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N8O/c1-18-8-6-9-19(2)35(18)14-4-3-5-15-36-24-17-22(27(31)34-32)12-13-23(24)33-25(28(36)37)20-10-7-11-21(16-20)26(29)30/h7,10-13,16-19H,3-6,8-9,14-15,32H2,1-2H3,(H3,29,30)(H2,31,34)