2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-7-oxidanyl-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-7-oxidanyl-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-7-hydroxy-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-7-hydroxy-N-phenyl-1-[4-(1-pyrrolidinylmethyl)phenyl]-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-7-hydroxy-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-7-hydroxy-N-phenyl-1-[4-(pyrrolidinomethyl)phenyl]-1H-isoquinoline-4-carboxamide Formula: C36H32ClN3O2S MolecularWeight: 606.17618

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)C3C4=C(C=CC(=C4)O)C(=CN3CC5=C(C6=CC=CC=C6S5)Cl)C(=O)NC7=CC=CC=C7

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)C3C4=C(C=CC(=C4)O)C(=CN3CC5=C(C6=CC=CC=C6S5)Cl)C(=O)NC7=CC=CC=C7

InChI

InChI=1S/C36H32ClN3O2S/c37-34-29-10-4-5-11-32(29)43-33(34)23-40-22-31(36(42)38-26-8-2-1-3-9-26)28-17-16-27(41)20-30(28)35(40)25-14-12-24(13-15-25)21-39-18-6-7-19-39/h1-5,8-17,20,22,35,41H,6-7,18-19,21,23H2,(H,38,42)