N,N-diethyl-4-[quinolin-8-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methyl]benzamide

Systemtic Name: N,N-diethyl-4-[quinolin-8-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methyl]benzamide Openeye Name: N,N-diethyl-4-[8-quinolyl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methyl]benzamide CAS Name: N,N-diethyl-4-[8-quinolinyl-[4-(1H-1,2,4-triazol-5-ylmethyl)-1-piperazinyl]methyl]benzamide IUPAC Name: N,N-diethyl-4-[quinolin-8-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methyl]benzamide Traditional Name: N,N-diethyl-4-[8-quinolyl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazino]methyl]benzamide Formula: C28H33N7O MolecularWeight: 483.60792

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC3=C2N=CC=C3)N4CCN(CC4)CC5=NC=NN5

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC3=C2N=CC=C3)N4CCN(CC4)CC5=NC=NN5

InChI

InChI=1S/C28H33N7O/c1-3-34(4-2)28(36)23-12-10-22(11-13-23)27(24-9-5-7-21-8-6-14-29-26(21)24)35-17-15-33(16-18-35)19-25-30-20-31-32-25/h5-14,20,27H,3-4,15-19H2,1-2H3,(H,30,31,32)