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

Systemtic Name: N-[2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-quinoxalin-6-yl]-2-phenyl-ethanamide Openeye Name: N-[2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethyl-1-piperidyl)pentyl]-3-oxo-quinoxalin-6-yl]-2-phenyl-acetamide CAS Name: N-[2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethyl-1-piperidinyl)pentyl]-3-oxo-6-quinoxalinyl]-2-phenylacetamide IUPAC Name: N-[2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxoquinoxalin-6-yl]-2-phenylacetamide Traditional Name: N-[2-(3-amidinophenyl)-4-[5-(2,6-dimethylpiperidino)pentyl]-3-keto-quinoxalin-6-yl]-2-phenyl-acetamide Formula: C35H42N6O2 MolecularWeight: 578.74698

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CCCCCN2C3=C(C=CC(=C3)NC(=O)CC4=CC=CC=C4)N=C(C2=O)C5=CC(=CC=C5)C(=N)N)C

Isomeric SMILES

CC1CCCC(N1CCCCCN2C3=C(C=CC(=C3)NC(=O)CC4=CC=CC=C4)N=C(C2=O)C5=CC(=CC=C5)C(=N)N)C

InChI

InChI=1S/C35H42N6O2/c1-24-11-9-12-25(2)40(24)19-7-4-8-20-41-31-23-29(38-32(42)21-26-13-5-3-6-14-26)17-18-30(31)39-33(35(41)43)27-15-10-16-28(22-27)34(36)37/h3,5-6,10,13-18,22-25H,4,7-9,11-12,19-21H2,1-2H3,(H3,36,37)(H,38,42)