N-[2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-quinoxalin-6-yl]ethanamide

Systemtic Name: N-[2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-quinoxalin-6-yl]ethanamide Openeye Name: N-[2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethyl-1-piperidyl)pentyl]-3-oxo-quinoxalin-6-yl]acetamide CAS Name: N-[2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethyl-1-piperidinyl)pentyl]-3-oxo-6-quinoxalinyl]acetamide IUPAC Name: N-[2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxoquinoxalin-6-yl]acetamide Traditional Name: N-[2-(3-amidinophenyl)-4-[5-(2,6-dimethylpiperidino)pentyl]-3-keto-quinoxalin-6-yl]acetamide Formula: C29H38N6O2 MolecularWeight: 502.65102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N6O2/c1-19-9-7-10-20(2)34(19)15-5-4-6-16-35-26-18-24(32-21(3)36)13-14-25(26)33-27(29(35)37)22-11-8-12-23(17-22)28(30)31/h8,11-14,17-20H,4-7,9-10,15-16H2,1-3H3,(H3,30,31)(H,32,36)