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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-(4-pyridylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-N-(4-pyridylmethyl)-9H-$b-carboline-3-carboxamide Formula: C25H18N4O3 MolecularWeight: 422.43542

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C4C(=CC(=N3)C(=O)NCC5=CC=NC=C5)C6=CC=CC=C6N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C4C(=CC(=N3)C(=O)NCC5=CC=NC=C5)C6=CC=CC=C6N4

InChI

InChI=1S/C25H18N4O3/c30-25(27-13-15-7-9-26-10-8-15)20-12-18-17-3-1-2-4-19(17)28-24(18)23(29-20)16-5-6-21-22(11-16)32-14-31-21/h1-12,28H,13-14H2,(H,27,30)