4-[benzotriazol-1-yl-[(2R,5S)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]methyl]-N,N-diethyl-benzamide

Systemtic Name: 4-[benzotriazol-1-yl-[(2R,5S)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]methyl]-N,N-diethyl-benzamide Openeye Name: 4-[[(2R,5S)-4-allyl-2,5-dimethyl-piperazin-1-yl]-(benzotriazol-1-yl)methyl]-N,N-diethyl-benzamide CAS Name: 4-[1-benzotriazolyl-[(2R,5S)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]methyl]-N,N-diethylbenzamide IUPAC Name: 4-[benzotriazol-1-yl-[(2R,5S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]methyl]-N,N-diethylbenzamide Traditional Name: 4-[[(2R,5S)-4-allyl-2,5-dimethyl-piperazino]-(benzotriazol-1-yl)methyl]-N,N-diethyl-benzamide Formula: C27H36N6O MolecularWeight: 460.61434

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(N2CC(N(CC2C)CC=C)C)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(N2C[C@@H](N(C[C@H]2C)CC=C)C)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C27H36N6O/c1-6-17-31-18-21(5)32(19-20(31)4)26(33-25-12-10-9-11-24(25)28-29-33)22-13-15-23(16-14-22)27(34)30(7-2)8-3/h6,9-16,20-21,26H,1,7-8,17-19H2,2-5H3/t20-,21+,26?/m0/s1