2-chloranyl-N-(3-morpholin-4-ylcarbonylphenyl)-4-(1,2,4-triazol-4-yl)benzamide

Systemtic Name: 2-chloranyl-N-(3-morpholin-4-ylcarbonylphenyl)-4-(1,2,4-triazol-4-yl)benzamide Openeye Name: 2-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-4-(1,2,4-triazol-4-yl)benzamide CAS Name: 2-chloro-N-[3-[4-morpholinyl(oxo)methyl]phenyl]-4-(1,2,4-triazol-4-yl)benzamide IUPAC Name: 2-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-4-(1,2,4-triazol-4-yl)benzamide Traditional Name: 2-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-4-(1,2,4-triazol-4-yl)benzamide Formula: C20H18ClN5O3 MolecularWeight: 411.84162

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC(=CC=C2)NC(=O)C3=C(C=C(C=C3)N4C=NN=C4)Cl

Isomeric SMILES

C1COCCN1C(=O)C2=CC(=CC=C2)NC(=O)C3=C(C=C(C=C3)N4C=NN=C4)Cl

InChI

InChI=1S/C20H18ClN5O3/c21-18-11-16(26-12-22-23-13-26)4-5-17(18)19(27)24-15-3-1-2-14(10-15)20(28)25-6-8-29-9-7-25/h1-5,10-13H,6-9H2,(H,24,27)