3-methyl-N-[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]butanamide

Systemtic Name: 3-methyl-N-[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]butanamide Openeye Name: N-(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methyl-butanamide CAS Name: 3-methyl-N-[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]butanamide IUPAC Name: N-(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methylbutanamide Traditional Name: N-(5-benzyl-[1,2,4]triazin[5,6-b]indol-3-yl)-3-methyl-butyramide Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NC2=C(C3=CC=CC=C3N2CC4=CC=CC=C4)N=N1

Isomeric SMILES

CC(C)CC(=O)NC1=NC2=C(C3=CC=CC=C3N2CC4=CC=CC=C4)N=N1

InChI

InChI=1S/C21H21N5O/c1-14(2)12-18(27)22-21-23-20-19(24-25-21)16-10-6-7-11-17(16)26(20)13-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,22,23,25,27)