N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoranyl-1-oxidanylidene-3-(piperazin-1-ylmethyl)-2-propyl-isoquinoline-4-carboxamide

Systemtic Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoranyl-1-oxidanylidene-3-(piperazin-1-ylmethyl)-2-propyl-isoquinoline-4-carboxamide Openeye Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-1-oxo-3-(piperazin-1-ylmethyl)-2-propyl-isoquinoline-4-carboxamide CAS Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-1-oxo-3-(1-piperazinylmethyl)-2-propyl-4-isoquinolinecarboxamide IUPAC Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-1-oxo-3-(piperazin-1-ylmethyl)-2-propylisoquinoline-4-carboxamide Traditional Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-1-keto-3-(piperazinomethyl)-2-propyl-isoquinoline-4-carboxamide Formula: C29H34F2N4O2 MolecularWeight: 508.602666

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C2=C(C1=O)C(=CC=C2)F)C(=O)NC(C3CCC3)C4=CC(=CC=C4)F)CN5CCNCC5

Isomeric SMILES

CCCN1C(=C(C2=C(C1=O)C(=CC=C2)F)C(=O)N[C@@H](C3CCC3)C4=CC(=CC=C4)F)CN5CCNCC5

InChI

InChI=1S/C29H34F2N4O2/c1-2-14-35-24(18-34-15-12-32-13-16-34)26(22-10-5-11-23(31)25(22)29(35)37)28(36)33-27(19-6-3-7-19)20-8-4-9-21(30)17-20/h4-5,8-11,17,19,27,32H,2-3,6-7,12-16,18H2,1H3,(H,33,36)/t27-/m0/s1