N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloranyl-2-oxidanylidene-6-phenyl-3-(4-phenylbutylamino)pyrazin-1-yl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloranyl-2-oxidanylidene-6-phenyl-3-(4-phenylbutylamino)pyrazin-1-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-6-phenyl-3-(4-phenylbutylamino)pyrazin-1-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-6-phenyl-3-(4-phenylbutylamino)-1-pyrazinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-6-phenyl-3-(4-phenylbutylamino)pyrazin-1-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[5-chloro-2-keto-6-phenyl-3-(4-phenylbutylamino)pyrazin-1-yl]acetamide Formula: C30H31ClN6O2 MolecularWeight: 543.05914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC2=NC(=C(N(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC2=NC(=C(N(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4)Cl

InChI

InChI=1S/C30H31ClN6O2/c31-27-26(23-12-5-2-6-13-23)37(20-25(38)35-19-22-14-16-24(17-15-22)28(32)33)30(39)29(36-27)34-18-8-7-11-21-9-3-1-4-10-21/h1-6,9-10,12-17H,7-8,11,18-20H2,(H3,32,33)(H,34,36)(H,35,38)