2-cycloheptyl-4-[4-[3-(3-methylpyrazol-1-yl)propanoyl]piperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-cycloheptyl-4-[4-[3-(3-methylpyrazol-1-yl)propanoyl]piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-cycloheptyl-4-[4-[3-(3-methylpyrazol-1-yl)propanoyl]piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-cycloheptyl-4-[4-[3-(3-methyl-1-pyrazolyl)-1-oxopropyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-cycloheptyl-4-[4-[3-(3-methylpyrazol-1-yl)propanoyl]piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-cycloheptyl-4-[4-[3-(3-methylpyrazol-1-yl)propanoyl]piperazino]isoindoline-1,3-quinone Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCC(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)C5CCCCCC5

Isomeric SMILES

CC1=NN(C=C1)CCC(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)C5CCCCCC5

InChI

InChI=1S/C26H33N5O3/c1-19-11-13-30(27-19)14-12-23(32)29-17-15-28(16-18-29)22-10-6-9-21-24(22)26(34)31(25(21)33)20-7-4-2-3-5-8-20/h6,9-11,13,20H,2-5,7-8,12,14-18H2,1H3