methyl 2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-quinoxaline-6-carboxylate

Systemtic Name: methyl 2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-quinoxaline-6-carboxylate Openeye Name: methyl 2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethyl-1-piperidyl)pentyl]-3-oxo-quinoxaline-6-carboxylate CAS Name: 2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethyl-1-piperidinyl)pentyl]-3-oxo-6-quinoxalinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxoquinoxaline-6-carboxylate Traditional Name: 2-(3-amidinophenyl)-4-[5-(2,6-dimethylpiperidino)pentyl]-3-keto-quinoxaline-6-carboxylic acid methyl ester Formula: C29H37N5O3 MolecularWeight: 503.63578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37N5O3/c1-19-9-7-10-20(2)33(19)15-5-4-6-16-34-25-18-23(29(36)37-3)13-14-24(25)32-26(28(34)35)21-11-8-12-22(17-21)27(30)31/h8,11-14,17-20H,4-7,9-10,15-16H2,1-3H3,(H3,30,31)