N-butyl-N-methyl-3-[[5-(2-piperazin-1-ylethoxy)-1,3-dihydroisoindol-2-yl]carbonyl]benzamide

Systemtic Name: N-butyl-N-methyl-3-[[5-(2-piperazin-1-ylethoxy)-1,3-dihydroisoindol-2-yl]carbonyl]benzamide Openeye Name: N-butyl-N-methyl-3-[5-(2-piperazin-1-ylethoxy)isoindoline-2-carbonyl]benzamide CAS Name: N-butyl-N-methyl-3-[oxo-[5-[2-(1-piperazinyl)ethoxy]-1,3-dihydroisoindol-2-yl]methyl]benzamide IUPAC Name: N-butyl-N-methyl-3-[5-(2-piperazin-1-ylethoxy)-1,3-dihydroisoindole-2-carbonyl]benzamide Traditional Name: N-butyl-N-methyl-3-[5-(2-piperazinoethoxy)isoindoline-2-carbonyl]benzamide Formula: C27H36N4O3 MolecularWeight: 464.59974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1=CC=CC(=C1)C(=O)N2CC3=C(C2)C=C(C=C3)OCCN4CCNCC4

Isomeric SMILES

CCCCN(C)C(=O)C1=CC=CC(=C1)C(=O)N2CC3=C(C2)C=C(C=C3)OCCN4CCNCC4

InChI

InChI=1S/C27H36N4O3/c1-3-4-12-29(2)26(32)21-6-5-7-22(17-21)27(33)31-19-23-8-9-25(18-24(23)20-31)34-16-15-30-13-10-28-11-14-30/h5-9,17-18,28H,3-4,10-16,19-20H2,1-2H3