3-methyl-N-[(S)-(2-oxidanylidenecyclopropyl)-phenyl-methyl]-2-phenyl-1H-isoquinoline-4-carboxamide

Systemtic Name: 3-methyl-N-[(S)-(2-oxidanylidenecyclopropyl)-phenyl-methyl]-2-phenyl-1H-isoquinoline-4-carboxamide Openeye Name: 3-methyl-N-[(S)-(2-oxocyclopropyl)-phenyl-methyl]-2-phenyl-1H-isoquinoline-4-carboxamide CAS Name: 3-methyl-N-[(S)-(2-oxocyclopropyl)-phenylmethyl]-2-phenyl-1H-isoquinoline-4-carboxamide IUPAC Name: 3-methyl-N-[(S)-(2-oxocyclopropyl)-phenylmethyl]-2-phenyl-1H-isoquinoline-4-carboxamide Traditional Name: N-[(S)-(2-ketocyclopropyl)-phenyl-methyl]-3-methyl-2-phenyl-1H-isoquinoline-4-carboxamide Formula: C27H24N2O2 MolecularWeight: 408.49166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2CN1C3=CC=CC=C3)C(=O)NC(C4CC4=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2CN1C3=CC=CC=C3)C(=O)N[C@@H](C4CC4=O)C5=CC=CC=C5

InChI

InChI=1S/C27H24N2O2/c1-18-25(27(31)28-26(23-16-24(23)30)19-10-4-2-5-11-19)22-15-9-8-12-20(22)17-29(18)21-13-6-3-7-14-21/h2-15,23,26H,16-17H2,1H3,(H,28,31)/t23?,26-/m1/s1