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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-phenethyl-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-phenethyl-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-yl)-N-phenethyl-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-phenethyl-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-N-phenethyl-9H-$b-carboline-3-carboxamide Formula: C27H21N3O3 MolecularWeight: 435.47394

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C4C(=CC(=N3)C(=O)NCCC5=CC=CC=C5)C6=CC=CC=C6N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C4C(=CC(=N3)C(=O)NCCC5=CC=CC=C5)C6=CC=CC=C6N4

InChI

InChI=1S/C27H21N3O3/c31-27(28-13-12-17-6-2-1-3-7-17)22-15-20-19-8-4-5-9-21(19)29-26(20)25(30-22)18-10-11-23-24(14-18)33-16-32-23/h1-11,14-15,29H,12-13,16H2,(H,28,31)