1-[[1,7-bis(chloranyl)isoquinolin-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

Systemtic Name: 1-[[1,7-bis(chloranyl)isoquinolin-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide Openeye Name: 1-[(1,7-dichloro-3-isoquinolyl)methyl]-N-(1-isopropyl-4-piperidyl)indole-2-carboxamide CAS Name: 1-[(1,7-dichloro-3-isoquinolinyl)methyl]-N-(1-propan-2-yl-4-piperidinyl)-2-indolecarboxamide IUPAC Name: 1-[(1,7-dichloroisoquinolin-3-yl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide Traditional Name: 1-[(1,7-dichloro-3-isoquinolyl)methyl]-N-(1-isopropyl-4-piperidyl)indole-2-carboxamide Formula: C27H28Cl2N4O MolecularWeight: 495.44342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)NC(=O)C2=CC3=CC=CC=C3N2CC4=NC(=C5C=C(C=CC5=C4)Cl)Cl

Isomeric SMILES

CC(C)N1CCC(CC1)NC(=O)C2=CC3=CC=CC=C3N2CC4=NC(=C5C=C(C=CC5=C4)Cl)Cl

InChI

InChI=1S/C27H28Cl2N4O/c1-17(2)32-11-9-21(10-12-32)31-27(34)25-14-19-5-3-4-6-24(19)33(25)16-22-13-18-7-8-20(28)15-23(18)26(29)30-22/h3-8,13-15,17,21H,9-12,16H2,1-2H3,(H,31,34)