4-[benzotriazol-1-yl-(4-phosphanylpiperazin-1-yl)methyl]-N,N-diethyl-benzamide

Systemtic Name: 4-[benzotriazol-1-yl-(4-phosphanylpiperazin-1-yl)methyl]-N,N-diethyl-benzamide Openeye Name: 4-[benzotriazol-1-yl-(4-phosphanylpiperazin-1-yl)methyl]-N,N-diethyl-benzamide CAS Name: 4-[1-benzotriazolyl-(4-phosphino-1-piperazinyl)methyl]-N,N-diethylbenzamide IUPAC Name: 4-[benzotriazol-1-yl-(4-phosphanylpiperazin-1-yl)methyl]-N,N-diethylbenzamide Traditional Name: 4-[benzotriazol-1-yl-(4-phosphinopiperazino)methyl]-N,N-diethyl-benzamide Formula: C22H29N6OP MolecularWeight: 424.479021

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(N2CCN(CC2)P)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(N2CCN(CC2)P)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H29N6OP/c1-3-25(4-2)22(29)18-11-9-17(10-12-18)21(26-13-15-27(30)16-14-26)28-20-8-6-5-7-19(20)23-24-28/h5-12,21H,3-4,13-16,30H2,1-2H3