benzotriazol-1-yl 2-[4-(4-methoxyphenyl)cyclohexyl]-4-phenyl-3-piperazin-1-yl-benzoate

Systemtic Name: benzotriazol-1-yl 2-[4-(4-methoxyphenyl)cyclohexyl]-4-phenyl-3-piperazin-1-yl-benzoate Openeye Name: benzotriazol-1-yl 2-[4-(4-methoxyphenyl)cyclohexyl]-4-phenyl-3-piperazin-1-yl-benzoate CAS Name: 2-[4-(4-methoxyphenyl)cyclohexyl]-4-phenyl-3-(1-piperazinyl)benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 2-[4-(4-methoxyphenyl)cyclohexyl]-4-phenyl-3-piperazin-1-ylbenzoate Traditional Name: 2-[4-(4-methoxyphenyl)cyclohexyl]-4-phenyl-3-piperazino-benzoic acid benzotriazol-1-yl ester Formula: C36H37N5O3 MolecularWeight: 587.71068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCC(CC2)C3=C(C=CC(=C3N4CCNCC4)C5=CC=CC=C5)C(=O)ON6C7=CC=CC=C7N=N6

Isomeric SMILES

COC1=CC=C(C=C1)C2CCC(CC2)C3=C(C=CC(=C3N4CCNCC4)C5=CC=CC=C5)C(=O)ON6C7=CC=CC=C7N=N6

InChI

InChI=1S/C36H37N5O3/c1-43-29-17-15-26(16-18-29)25-11-13-28(14-12-25)34-31(36(42)44-41-33-10-6-5-9-32(33)38-39-41)20-19-30(27-7-3-2-4-8-27)35(34)40-23-21-37-22-24-40/h2-10,15-20,25,28,37H,11-14,21-24H2,1H3