5-tert-butyl-N-(6-chloranyl-9H-pyrido[3,4-b]indol-8-yl)-2-(phenylmethyl)pyrazole-3-carboxamide

Systemtic Name: 5-tert-butyl-N-(6-chloranyl-9H-pyrido[3,4-b]indol-8-yl)-2-(phenylmethyl)pyrazole-3-carboxamide Openeye Name: 2-benzyl-5-tert-butyl-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyrazole-3-carboxamide CAS Name: 5-tert-butyl-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-(phenylmethyl)-3-pyrazolecarboxamide IUPAC Name: 2-benzyl-5-tert-butyl-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyrazole-3-carboxamide Traditional Name: 2-benzyl-5-tert-butyl-N-(6-chloro-9H-$b-carbolin-8-yl)pyrazole-3-carboxamide Formula: C26H24ClN5O MolecularWeight: 457.95466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=C3C(=CC(=C2)Cl)C4=C(N3)C=NC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=C3C(=CC(=C2)Cl)C4=C(N3)C=NC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H24ClN5O/c1-26(2,3)23-13-22(32(31-23)15-16-7-5-4-6-8-16)25(33)30-20-12-17(27)11-19-18-9-10-28-14-21(18)29-24(19)20/h4-14,29H,15H2,1-3H3,(H,30,33)