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

Systemtic Name: N,N-diethyl-4-[quinolin-8-yl-[4-(1,2,3-triazol-1-ylmethyl)piperazin-1-yl]methyl]benzamide Openeye Name: N,N-diethyl-4-[8-quinolyl-[4-(triazol-1-ylmethyl)piperazin-1-yl]methyl]benzamide CAS Name: N,N-diethyl-4-[8-quinolinyl-[4-(1-triazolylmethyl)-1-piperazinyl]methyl]benzamide IUPAC Name: N,N-diethyl-4-[quinolin-8-yl-[4-(triazol-1-ylmethyl)piperazin-1-yl]methyl]benzamide Traditional Name: N,N-diethyl-4-[8-quinolyl-[4-(triazol-1-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)CN5C=CN=N5

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC3=C2N=CC=C3)N4CCN(CC4)CN5C=CN=N5

InChI

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