N-(3-imidazol-1-ylpropyl)-1-(4-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-1-(4-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-1-(4-isopropylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-1-(4-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-1-(4-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-1-p-cumenyl-9H-$b-carboline-3-carboxamide Formula: C27H27N5O MolecularWeight: 437.53618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C3C(=CC(=N2)C(=O)NCCCN4C=CN=C4)C5=CC=CC=C5N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C3C(=CC(=N2)C(=O)NCCCN4C=CN=C4)C5=CC=CC=C5N3

InChI

InChI=1S/C27H27N5O/c1-18(2)19-8-10-20(11-9-19)25-26-22(21-6-3-4-7-23(21)30-26)16-24(31-25)27(33)29-12-5-14-32-15-13-28-17-32/h3-4,6-11,13,15-18,30H,5,12,14H2,1-2H3,(H,29,33)