2-cyclohexyl-3-oxidanylidene-N-(3-phenylpropyl)-1H-pyrrolo[3,4-b]quinoline-9-carboxamide

Systemtic Name: 2-cyclohexyl-3-oxidanylidene-N-(3-phenylpropyl)-1H-pyrrolo[3,4-b]quinoline-9-carboxamide Openeye Name: 2-cyclohexyl-3-oxo-N-(3-phenylpropyl)-1H-pyrrolo[3,4-b]quinoline-9-carboxamide CAS Name: 2-cyclohexyl-3-oxo-N-(3-phenylpropyl)-1H-pyrrolo[3,4-b]quinoline-9-carboxamide IUPAC Name: 2-cyclohexyl-3-oxo-N-(3-phenylpropyl)-1H-pyrrolo[3,4-b]quinoline-9-carboxamide Traditional Name: 2-cyclohexyl-3-keto-N-(3-phenylpropyl)-1H-pyrrolo[3,4-b]quinoline-9-carboxamide Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC3=C(C4=CC=CC=C4N=C3C2=O)C(=O)NCCCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2CC3=C(C4=CC=CC=C4N=C3C2=O)C(=O)NCCCC5=CC=CC=C5

InChI

InChI=1S/C27H29N3O2/c31-26(28-17-9-12-19-10-3-1-4-11-19)24-21-15-7-8-16-23(21)29-25-22(24)18-30(27(25)32)20-13-5-2-6-14-20/h1,3-4,7-8,10-11,15-16,20H,2,5-6,9,12-14,17-18H2,(H,28,31)