methyl 2-[2-chloranyl-5-[(3-pyrrol-1-ylphenyl)carbamoylamino]phenyl]-3H-benzimidazole-5-carboxylate

Systemtic Name: methyl 2-[2-chloranyl-5-[(3-pyrrol-1-ylphenyl)carbamoylamino]phenyl]-3H-benzimidazole-5-carboxylate Openeye Name: methyl 2-[2-chloro-5-[(3-pyrrol-1-ylphenyl)carbamoylamino]phenyl]-3H-benzimidazole-5-carboxylate CAS Name: 2-[2-chloro-5-[[oxo-[3-(1-pyrrolyl)anilino]methyl]amino]phenyl]-3H-benzimidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-chloro-5-[(3-pyrrol-1-ylphenyl)carbamoylamino]phenyl]-3H-benzimidazole-5-carboxylate Traditional Name: 2-[2-chloro-5-[(3-pyrrol-1-ylphenyl)carbamoylamino]phenyl]-3H-benzimidazole-5-carboxylic acid methyl ester Formula: C26H20ClN5O3 MolecularWeight: 485.9217

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(N2)C3=C(C=CC(=C3)NC(=O)NC4=CC=CC(=C4)N5C=CC=C5)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(N2)C3=C(C=CC(=C3)NC(=O)NC4=CC=CC(=C4)N5C=CC=C5)Cl

InChI

InChI=1S/C26H20ClN5O3/c1-35-25(33)16-7-10-22-23(13-16)31-24(30-22)20-15-18(8-9-21(20)27)29-26(34)28-17-5-4-6-19(14-17)32-11-2-3-12-32/h2-15H,1H3,(H,30,31)(H2,28,29,34)