N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C23H28N6O MolecularWeight: 404.50802

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4C=NC=N4)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4C=NC=N4)C

InChI

InChI=1S/C23H28N6O/c1-3-27-10-12-28(13-11-27)21-8-9-22(18(2)14-21)26-23(30)20-6-4-19(5-7-20)15-29-17-24-16-25-29/h4-9,14,16-17H,3,10-13,15H2,1-2H3,(H,26,30)