2-[(4-chlorophenyl)methylamino]-7-methyl-5-(3-piperidin-4-ylpropoxy)-3H-isoindol-1-one

Systemtic Name: 2-[(4-chlorophenyl)methylamino]-7-methyl-5-(3-piperidin-4-ylpropoxy)-3H-isoindol-1-one Openeye Name: 2-[(4-chlorophenyl)methylamino]-7-methyl-5-[3-(4-piperidyl)propoxy]isoindolin-1-one CAS Name: 2-[(4-chlorophenyl)methylamino]-7-methyl-5-[3-(4-piperidinyl)propoxy]-3H-isoindol-1-one IUPAC Name: 2-[(4-chlorophenyl)methylamino]-7-methyl-5-(3-piperidin-4-ylpropoxy)-3H-isoindol-1-one Traditional Name: 2-[(4-chlorobenzyl)amino]-7-methyl-5-[3-(4-piperidyl)propoxy]isoindolin-1-one Formula: C24H30ClN3O2 MolecularWeight: 427.9669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)OCCCC3CCNCC3)CN(C2=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C2C(=CC(=C1)OCCCC3CCNCC3)CN(C2=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H30ClN3O2/c1-17-13-22(30-12-2-3-18-8-10-26-11-9-18)14-20-16-28(24(29)23(17)20)27-15-19-4-6-21(25)7-5-19/h4-7,13-14,18,26-27H,2-3,8-12,15-16H2,1H3