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

Systemtic Name: N-butyl-3-[[5-(3-cyanopropoxy)-1,3-dihydroisoindol-2-yl]carbonyl]-N-methyl-benzamide Openeye Name: N-butyl-3-[5-(3-cyanopropoxy)isoindoline-2-carbonyl]-N-methyl-benzamide CAS Name: N-butyl-3-[[5-(3-cyanopropoxy)-1,3-dihydroisoindol-2-yl]-oxomethyl]-N-methylbenzamide IUPAC Name: N-butyl-3-[5-(3-cyanopropoxy)-1,3-dihydroisoindole-2-carbonyl]-N-methylbenzamide Traditional Name: N-butyl-3-[5-(3-cyanopropoxy)isoindoline-2-carbonyl]-N-methyl-benzamide Formula: C25H29N3O3 MolecularWeight: 419.51606

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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)OCCCC#N

Isomeric SMILES

CCCCN(C)C(=O)C1=CC=CC(=C1)C(=O)N2CC3=C(C2)C=C(C=C3)OCCCC#N

InChI

InChI=1S/C25H29N3O3/c1-3-4-13-27(2)24(29)19-8-7-9-20(15-19)25(30)28-17-21-10-11-23(16-22(21)18-28)31-14-6-5-12-26/h7-11,15-16H,3-6,13-14,17-18H2,1-2H3