N-[4-[(1S)-1-azanyl-2-oxidanylidene-2-pyrrolidin-1-yl-ethyl]cyclohexyl]isoquinoline-4-carboxamide

Systemtic Name: N-[4-[(1S)-1-azanyl-2-oxidanylidene-2-pyrrolidin-1-yl-ethyl]cyclohexyl]isoquinoline-4-carboxamide Openeye Name: N-[4-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-yl-ethyl]cyclohexyl]isoquinoline-4-carboxamide CAS Name: N-[4-[(1S)-1-amino-2-oxo-2-(1-pyrrolidinyl)ethyl]cyclohexyl]-4-isoquinolinecarboxamide IUPAC Name: N-[4-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclohexyl]isoquinoline-4-carboxamide Traditional Name: N-[4-[(1S)-1-amino-2-keto-2-pyrrolidino-ethyl]cyclohexyl]isoquinoline-4-carboxamide Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2CCC(CC2)NC(=O)C3=CN=CC4=CC=CC=C43)N

Isomeric SMILES

C1CCN(C1)C(=O)[C@H](C2CCC(CC2)NC(=O)C3=CN=CC4=CC=CC=C43)N

InChI

InChI=1S/C22H28N4O2/c23-20(22(28)26-11-3-4-12-26)15-7-9-17(10-8-15)25-21(27)19-14-24-13-16-5-1-2-6-18(16)19/h1-2,5-6,13-15,17,20H,3-4,7-12,23H2,(H,25,27)/t15?,17?,20-/m0/s1