7a-[4-[4-(diphenylmethyl)-2-methyl-piperazin-1-yl]butyl]-3aH-isoindole-1,3-dione

Systemtic Name: 7a-[4-[4-(diphenylmethyl)-2-methyl-piperazin-1-yl]butyl]-3aH-isoindole-1,3-dione Openeye Name: 7a-[4-(4-benzhydryl-2-methyl-piperazin-1-yl)butyl]-3aH-isoindole-1,3-dione CAS Name: 7a-[4-[4-(diphenylmethyl)-2-methyl-1-piperazinyl]butyl]-3aH-isoindole-1,3-dione IUPAC Name: 7a-[4-(4-benzhydryl-2-methylpiperazin-1-yl)butyl]-3aH-isoindole-1,3-dione Traditional Name: 7a-[4-(4-benzhydryl-2-methyl-piperazino)butyl]-3aH-isoindole-1,3-quinone Formula: C30H35N3O2 MolecularWeight: 469.6178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CCCCC23C=CC=CC2C(=O)NC3=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1CCCCC23C=CC=CC2C(=O)NC3=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H35N3O2/c1-23-22-33(27(24-12-4-2-5-13-24)25-14-6-3-7-15-25)21-20-32(23)19-11-10-18-30-17-9-8-16-26(30)28(34)31-29(30)35/h2-9,12-17,23,26-27H,10-11,18-22H2,1H3,(H,31,34,35)