N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-2H-benzotriazole-5-carboxamide

Systemtic Name: N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-2H-benzotriazole-5-carboxamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-2H-benzotriazole-5-carboxamide CAS Name: N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2H-benzotriazole-5-carboxamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-2H-benzotriazole-5-carboxamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-2H-benzotriazole-5-carboxamide Formula: C21H26N6O MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)C2=CC3=NNN=C3C=C2)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCNC(=O)C2=CC3=NNN=C3C=C2)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N6O/c28-21(18-7-8-19-20(15-18)24-25-23-19)22-9-4-10-26-11-13-27(14-12-26)16-17-5-2-1-3-6-17/h1-3,5-8,15H,4,9-14,16H2,(H,22,28)(H,23,24,25)