[5-[(3-chlorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-phenyl-methanone

Systemtic Name: [5-[(3-chlorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-phenyl-methanone Openeye Name: [5-[(3-chlorophenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-phenyl-methanone CAS Name: [5-[(3-chlorophenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-phenylmethanone IUPAC Name: [5-[(3-chlorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-phenylmethanone Traditional Name: [5-[(3-chlorobenzyl)amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-phenyl-methanone Formula: C21H16ClN5O MolecularWeight: 389.83764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H16ClN5O/c22-18-10-4-6-15(12-18)13-24-21-25-19(17-9-5-11-23-14-17)26-27(21)20(28)16-7-2-1-3-8-16/h1-12,14H,13H2,(H,24,25,26)