2-(1-azanyl-1-oxidanylidene-propan-2-yl)-N-(cyclohexylmethyl)-1-oxidanylidene-isoquinoline-5-carboxamide

Systemtic Name: 2-(1-azanyl-1-oxidanylidene-propan-2-yl)-N-(cyclohexylmethyl)-1-oxidanylidene-isoquinoline-5-carboxamide Openeye Name: 2-(2-amino-1-methyl-2-oxo-ethyl)-N-(cyclohexylmethyl)-1-oxo-isoquinoline-5-carboxamide CAS Name: 2-(1-amino-1-oxopropan-2-yl)-N-(cyclohexylmethyl)-1-oxo-5-isoquinolinecarboxamide IUPAC Name: 2-(1-amino-1-oxopropan-2-yl)-N-(cyclohexylmethyl)-1-oxoisoquinoline-5-carboxamide Traditional Name: 2-(2-amino-2-keto-1-methyl-ethyl)-N-(cyclohexylmethyl)-1-keto-isoquinoline-5-carboxamide Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)N1C=CC2=C(C1=O)C=CC=C2C(=O)NCC3CCCCC3

Isomeric SMILES

CC(C(=O)N)N1C=CC2=C(C1=O)C=CC=C2C(=O)NCC3CCCCC3

InChI

InChI=1S/C20H25N3O3/c1-13(18(21)24)23-11-10-15-16(8-5-9-17(15)20(23)26)19(25)22-12-14-6-3-2-4-7-14/h5,8-11,13-14H,2-4,6-7,12H2,1H3,(H2,21,24)(H,22,25)