3-methyl-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzotriazole-5-carboxamide

Systemtic Name: 3-methyl-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzotriazole-5-carboxamide Openeye Name: 3-methyl-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzotriazole-5-carboxamide CAS Name: 3-methyl-N-[[3-[3-(1-piperazinylmethyl)phenyl]phenyl]methyl]-5-benzotriazolecarboxamide IUPAC Name: 3-methyl-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzotriazole-5-carboxamide Traditional Name: 3-methyl-N-[3-[3-(piperazinomethyl)phenyl]benzyl]benzotriazole-5-carboxamide Formula: C26H28N6O MolecularWeight: 440.54012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NCC3=CC=CC(=C3)C4=CC(=CC=C4)CN5CCNCC5)N=N1

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)NCC3=CC=CC(=C3)C4=CC(=CC=C4)CN5CCNCC5)N=N1

InChI

InChI=1S/C26H28N6O/c1-31-25-16-23(8-9-24(25)29-30-31)26(33)28-17-19-4-2-6-21(14-19)22-7-3-5-20(15-22)18-32-12-10-27-11-13-32/h2-9,14-16,27H,10-13,17-18H2,1H3,(H,28,33)