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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloranyl-2-oxidanylidene-6-phenyl-3-(3-phenylpropylamino)pyrazin-1-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-6-phenyl-3-(3-phenylpropylamino)pyrazin-1-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-6-phenyl-3-(3-phenylpropylamino)-1-pyrazinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-6-phenyl-3-(3-phenylpropylamino)pyrazin-1-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[5-chloro-2-keto-6-phenyl-3-(3-phenylpropylamino)pyrazin-1-yl]acetamide Formula: C29H29ClN6O2 MolecularWeight: 529.03256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC2=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)CCCNC2=NC(=C(N(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4)Cl

InChI

InChI=1S/C29H29ClN6O2/c30-26-25(22-11-5-2-6-12-22)36(19-24(37)34-18-21-13-15-23(16-14-21)27(31)32)29(38)28(35-26)33-17-7-10-20-8-3-1-4-9-20/h1-6,8-9,11-16H,7,10,17-19H2,(H3,31,32)(H,33,35)(H,34,37)