3-[[3-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]amino]-2-propyl-3H-isoindol-1-one

Systemtic Name: 3-[[3-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]amino]-2-propyl-3H-isoindol-1-one Openeye Name: 3-[3-(4-benzylpiperidine-1-carbonyl)anilino]-2-propyl-isoindolin-1-one CAS Name: 3-[3-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]anilino]-2-propyl-3H-isoindol-1-one IUPAC Name: 3-[3-(4-benzylpiperidine-1-carbonyl)anilino]-2-propyl-3H-isoindol-1-one Traditional Name: 3-[3-(4-benzylpiperidine-1-carbonyl)anilino]-2-propyl-isoindolin-1-one Formula: C30H33N3O2 MolecularWeight: 467.60192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H33N3O2/c1-2-17-33-28(26-13-6-7-14-27(26)30(33)35)31-25-12-8-11-24(21-25)29(34)32-18-15-23(16-19-32)20-22-9-4-3-5-10-22/h3-14,21,23,28,31H,2,15-20H2,1H3