2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxidanylidene-3-piperidin-4-yl-isoindol-4-yl]ethanal

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxidanylidene-3-piperidin-4-yl-isoindol-4-yl]ethanal Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxo-3-(4-piperidyl)isoindolin-4-yl]acetaldehyde CAS Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxo-3-(4-piperidinyl)-4-isoindolyl]acetaldehyde IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxo-3-piperidin-4-ylisoindol-4-yl]acetaldehyde Traditional Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-keto-3-methyl-3-(4-piperidyl)isoindolin-4-yl]acetaldehyde Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC=C2CC=O)C(=O)N1N3CCC4=CC=CC=C4C3)C5CCNCC5

Isomeric SMILES

CC1(C2=C(C=CC=C2CC=O)C(=O)N1N3CCC4=CC=CC=C4C3)C5CCNCC5

InChI

InChI=1S/C25H29N3O2/c1-25(21-9-13-26-14-10-21)23-19(12-16-29)7-4-8-22(23)24(30)28(25)27-15-11-18-5-2-3-6-20(18)17-27/h2-8,16,21,26H,9-15,17H2,1H3