2-[4-methyl-1-(4-naphthalen-1-ylcarbonylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[4-methyl-1-(4-naphthalen-1-ylcarbonylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-methyl-1-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-methyl-1-[4-[1-naphthalenyl(oxo)methyl]-1-piperazinyl]-1-oxopentan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-methyl-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-1-oxopentan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-methyl-1-[4-(1-naphthoyl)piperazine-1-carbonyl]butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(CC1)C(=O)C2=CC=CC3=CC=CC=C32)N4C(=O)C5CC=CCC5C4=O

Isomeric SMILES

CC(C)CC(C(=O)N1CCN(CC1)C(=O)C2=CC=CC3=CC=CC=C32)N4C(=O)C5CC=CCC5C4=O

InChI

InChI=1S/C29H33N3O4/c1-19(2)18-25(32-27(34)23-11-5-6-12-24(23)28(32)35)29(36)31-16-14-30(15-17-31)26(33)22-13-7-9-20-8-3-4-10-21(20)22/h3-10,13,19,23-25H,11-12,14-18H2,1-2H3