1-(1,3-benzodioxol-5-yl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[3-(1-imidazolyl)propyl]-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-N-(3-imidazol-1-ylpropyl)-9H-$b-carboline-3-carboxamide Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C4C(=CC(=N3)C(=O)NCCCN5C=CN=C5)C6=CC=CC=C6N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C4C(=CC(=N3)C(=O)NCCCN5C=CN=C5)C6=CC=CC=C6N4

InChI

InChI=1S/C25H21N5O3/c31-25(27-8-3-10-30-11-9-26-14-30)20-13-18-17-4-1-2-5-19(17)28-24(18)23(29-20)16-6-7-21-22(12-16)33-15-32-21/h1-2,4-7,9,11-14,28H,3,8,10,15H2,(H,27,31)