ethyl 4-(3-chloranyl-4-morpholin-4-yl-phenyl)-3-(1H-indol-3-yl)-2-phenyl-3H-1,2,4-triazole-5-carboxylate

Systemtic Name: ethyl 4-(3-chloranyl-4-morpholin-4-yl-phenyl)-3-(1H-indol-3-yl)-2-phenyl-3H-1,2,4-triazole-5-carboxylate Openeye Name: ethyl 4-(3-chloro-4-morpholino-phenyl)-3-(1H-indol-3-yl)-2-phenyl-3H-1,2,4-triazole-5-carboxylate CAS Name: 4-[3-chloro-4-(4-morpholinyl)phenyl]-3-(1H-indol-3-yl)-2-phenyl-3H-1,2,4-triazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloro-4-morpholin-4-ylphenyl)-3-(1H-indol-3-yl)-2-phenyl-3H-1,2,4-triazole-5-carboxylate Traditional Name: 4-(3-chloro-4-morpholino-phenyl)-3-(1H-indol-3-yl)-2-phenyl-3H-1,2,4-triazole-5-carboxylic acid ethyl ester Formula: C29H28ClN5O3 MolecularWeight: 530.01732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(N1C2=CC(=C(C=C2)N3CCOCC3)Cl)C4=CNC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=NN(C(N1C2=CC(=C(C=C2)N3CCOCC3)Cl)C4=CNC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C29H28ClN5O3/c1-2-38-29(36)27-32-35(20-8-4-3-5-9-20)28(23-19-31-25-11-7-6-10-22(23)25)34(27)21-12-13-26(24(30)18-21)33-14-16-37-17-15-33/h3-13,18-19,28,31H,2,14-17H2,1H3