2-[(3-carbamimidoylphenyl)amino]-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-2-phenyl-ethanamide

Systemtic Name: 2-[(3-carbamimidoylphenyl)amino]-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-2-phenyl-ethanamide Openeye Name: 2-(3-carbamimidoylanilino)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]-2-phenyl-acetamide CAS Name: 2-(3-carbamimidoylanilino)-N-[1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxopropan-2-yl]-2-phenylacetamide IUPAC Name: 2-(3-carbamimidoylanilino)-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenylacetamide Traditional Name: 2-(3-amidinoanilino)-N-[2-keto-2-[4-(2-methoxyphenyl)piperazino]-1-methyl-ethyl]-2-phenyl-acetamide Formula: C29H34N6O3 MolecularWeight: 514.61866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2OC)NC(=O)C(C3=CC=CC=C3)NC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2OC)NC(=O)C(C3=CC=CC=C3)NC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C29H34N6O3/c1-20(29(37)35-17-15-34(16-18-35)24-13-6-7-14-25(24)38-2)32-28(36)26(21-9-4-3-5-10-21)33-23-12-8-11-22(19-23)27(30)31/h3-14,19-20,26,33H,15-18H2,1-2H3,(H3,30,31)(H,32,36)