4-[4-(4-phenylbutan-2-yl)piperazin-1-yl]-2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-(4-phenylbutan-2-yl)piperazin-1-yl]-2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione Openeye Name: 4-[4-(1-methyl-3-phenyl-propyl)piperazin-1-yl]-2-(2-pyrazol-1-ylethyl)isoindoline-1,3-dione CAS Name: 4-[4-(4-phenylbutan-2-yl)-1-piperazinyl]-2-[2-(1-pyrazolyl)ethyl]isoindole-1,3-dione IUPAC Name: 4-[4-(4-phenylbutan-2-yl)piperazin-1-yl]-2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione Traditional Name: 4-[4-(1-methyl-3-phenyl-propyl)piperazino]-2-(2-pyrazol-1-ylethyl)isoindoline-1,3-quinone Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CCN5C=CC=N5

Isomeric SMILES

CC(CCC1=CC=CC=C1)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CCN5C=CC=N5

InChI

InChI=1S/C27H31N5O2/c1-21(11-12-22-7-3-2-4-8-22)29-15-17-30(18-16-29)24-10-5-9-23-25(24)27(34)32(26(23)33)20-19-31-14-6-13-28-31/h2-10,13-14,21H,11-12,15-20H2,1H3