2-[2-methyl-3-oxidanylidene-7-[2-(phenylmethyl)pyrrol-2-yl]-1-piperidin-4-yl-isoindol-1-yl]ethanal hydrochloride

Systemtic Name: 2-[2-methyl-3-oxidanylidene-7-[2-(phenylmethyl)pyrrol-2-yl]-1-piperidin-4-yl-isoindol-1-yl]ethanal hydrochloride Openeye Name: 2-[7-(2-benzylpyrrol-2-yl)-2-methyl-3-oxo-1-(4-piperidyl)isoindolin-1-yl]acetaldehyde hydrochloride CAS Name: 2-[2-methyl-3-oxo-7-[2-(phenylmethyl)-2-pyrrolyl]-1-(4-piperidinyl)-1-isoindolyl]acetaldehyde hydrochloride IUPAC Name: 2-[7-(2-benzylpyrrol-2-yl)-2-methyl-3-oxo-1-piperidin-4-ylisoindol-1-yl]acetaldehyde hydrochloride Traditional Name: 2-[7-(2-benzylpyrrol-2-yl)-3-keto-2-methyl-1-(4-piperidyl)isoindolin-1-yl]acetaldehyde hydrochloride Formula: C27H30ClN3O2 MolecularWeight: 463.999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1(CC=O)C3CCNCC3)C(=CC=C2)C4(C=CC=N4)CC5=CC=CC=C5.Cl

Isomeric SMILES

CN1C(=O)C2=C(C1(CC=O)C3CCNCC3)C(=CC=C2)C4(C=CC=N4)CC5=CC=CC=C5.Cl

InChI

InChI=1S/C27H29N3O2.ClH/c1-30-25(32)22-9-5-10-23(24(22)27(30,14-18-31)21-11-16-28-17-12-21)26(13-6-15-29-26)19-20-7-3-2-4-8-20;/h2-10,13,15,18,21,28H,11-12,14,16-17,19H2,1H3;1H