2-butyl-3-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 2-butyl-3-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-butyl-3-(3-chlorophenyl)-N-(3-morpholinopropyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-butyl-3-(3-chlorophenyl)-N-[3-(4-morpholinyl)propyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-butyl-3-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 2-butyl-3-(3-chlorophenyl)-1-keto-N-(3-morpholinopropyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C27H34ClN3O3 MolecularWeight: 484.03016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCCN3CCOCC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCCN3CCOCC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H34ClN3O3/c1-2-3-14-31-25(20-8-6-9-21(28)19-20)24(22-10-4-5-11-23(22)27(31)33)26(32)29-12-7-13-30-15-17-34-18-16-30/h4-6,8-11,19,24-25H,2-3,7,12-18H2,1H3,(H,29,32)