2-[2-[bis(phenylmethyl)amino]ethyl]-5-(3-cyclopentyloxy-4-methoxy-phenyl)-4H-pyrazol-3-one

Systemtic Name: 2-[2-[bis(phenylmethyl)amino]ethyl]-5-(3-cyclopentyloxy-4-methoxy-phenyl)-4H-pyrazol-3-one Openeye Name: 5-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-[2-(dibenzylamino)ethyl]-4H-pyrazol-3-one CAS Name: 2-[2-[bis(phenylmethyl)amino]ethyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)-4H-pyrazol-3-one IUPAC Name: 5-(3-cyclopentyloxy-4-methoxyphenyl)-2-[2-(dibenzylamino)ethyl]-4H-pyrazol-3-one Traditional Name: 5-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-[2-(dibenzylamino)ethyl]-2-pyrazolin-3-one Formula: C31H35N3O3 MolecularWeight: 497.6279

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C2)CCN(CC3=CC=CC=C3)CC4=CC=CC=C4)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C2)CCN(CC3=CC=CC=C3)CC4=CC=CC=C4)OC5CCCC5

InChI

InChI=1S/C31H35N3O3/c1-36-29-17-16-26(20-30(29)37-27-14-8-9-15-27)28-21-31(35)34(32-28)19-18-33(22-24-10-4-2-5-11-24)23-25-12-6-3-7-13-25/h2-7,10-13,16-17,20,27H,8-9,14-15,18-19,21-23H2,1H3