5-chloranyl-N-[1-oxidanylidene-2-[[3-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]-3H-isoindol-4-yl]thiophene-2-carboxamide

Systemtic Name: 5-chloranyl-N-[1-oxidanylidene-2-[[3-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]-3H-isoindol-4-yl]thiophene-2-carboxamide Openeye Name: 5-chloro-N-[1-oxo-2-[[3-[(4-pyridylmethylamino)methyl]phenyl]methyl]isoindolin-4-yl]thiophene-2-carboxamide CAS Name: 5-chloro-N-[1-oxo-2-[[3-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]-3H-isoindol-4-yl]-2-thiophenecarboxamide IUPAC Name: 5-chloro-N-[1-oxo-2-[[3-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]-3H-isoindol-4-yl]thiophene-2-carboxamide Traditional Name: 5-chloro-N-[1-keto-2-[3-[(4-pyridylmethylamino)methyl]benzyl]isoindolin-4-yl]thiophene-2-carboxamide Formula: C27H23ClN4O2S MolecularWeight: 503.01512

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC=C2NC(=O)C3=CC=C(S3)Cl)C(=O)N1CC4=CC(=CC=C4)CNCC5=CC=NC=C5

Isomeric SMILES

C1C2=C(C=CC=C2NC(=O)C3=CC=C(S3)Cl)C(=O)N1CC4=CC(=CC=C4)CNCC5=CC=NC=C5

InChI

InChI=1S/C27H23ClN4O2S/c28-25-8-7-24(35-25)26(33)31-23-6-2-5-21-22(23)17-32(27(21)34)16-20-4-1-3-19(13-20)15-30-14-18-9-11-29-12-10-18/h1-13,30H,14-17H2,(H,31,33)