[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-ethylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-ethylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-ethylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(4-ethylphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-ethylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone Traditional Name: [1-(4-ethylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]-(4-piperonylpiperazino)methanone Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)N6C=CC=C6

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)N6C=CC=C6

InChI

InChI=1S/C28H29N5O3/c1-2-21-5-8-23(9-6-21)33-27(31-11-3-4-12-31)24(18-29-33)28(34)32-15-13-30(14-16-32)19-22-7-10-25-26(17-22)36-20-35-25/h3-12,17-18H,2,13-16,19-20H2,1H3