1-azanyl-N-[2-(cyclohexylcarbonylamino)-1-phenyl-ethyl]isoquinoline-7-carboxamide

Systemtic Name: 1-azanyl-N-[2-(cyclohexylcarbonylamino)-1-phenyl-ethyl]isoquinoline-7-carboxamide Openeye Name: 1-amino-N-[2-(cyclohexanecarbonylamino)-1-phenyl-ethyl]isoquinoline-7-carboxamide CAS Name: 1-amino-N-[2-[[cyclohexyl(oxo)methyl]amino]-1-phenylethyl]-7-isoquinolinecarboxamide IUPAC Name: 1-amino-N-[2-(cyclohexanecarbonylamino)-1-phenylethyl]isoquinoline-7-carboxamide Traditional Name: 1-amino-N-[2-(cyclohexanecarbonylamino)-1-phenyl-ethyl]isoquinoline-7-carboxamide Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NCC(C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

C1CCC(CC1)C(=O)NCC(C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C25H28N4O2/c26-23-21-15-20(12-11-17(21)13-14-27-23)25(31)29-22(18-7-3-1-4-8-18)16-28-24(30)19-9-5-2-6-10-19/h1,3-4,7-8,11-15,19,22H,2,5-6,9-10,16H2,(H2,26,27)(H,28,30)(H,29,31)