N,N-diethyl-2-(quinolin-8-ylmethyl)-4-[4-(1,2,3-triazol-1-ylmethyl)piperazin-1-yl]benzamide

Systemtic Name: N,N-diethyl-2-(quinolin-8-ylmethyl)-4-[4-(1,2,3-triazol-1-ylmethyl)piperazin-1-yl]benzamide Openeye Name: N,N-diethyl-2-(8-quinolylmethyl)-4-[4-(triazol-1-ylmethyl)piperazin-1-yl]benzamide CAS Name: N,N-diethyl-2-(8-quinolinylmethyl)-4-[4-(1-triazolylmethyl)-1-piperazinyl]benzamide IUPAC Name: N,N-diethyl-2-(quinolin-8-ylmethyl)-4-[4-(triazol-1-ylmethyl)piperazin-1-yl]benzamide Traditional Name: N,N-diethyl-2-(8-quinolylmethyl)-4-[4-(triazol-1-ylmethyl)piperazino]benzamide Formula: C28H33N7O MolecularWeight: 483.60792

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=C(C=C1)N2CCN(CC2)CN3C=CN=N3)CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=C(C=C1)N2CCN(CC2)CN3C=CN=N3)CC4=CC=CC5=C4N=CC=C5

InChI

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