(5-methyl-2-phenyl-1,2,3-triazol-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone

Systemtic Name: (5-methyl-2-phenyl-1,2,3-triazol-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Openeye Name: (5-methyl-2-phenyl-triazol-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone CAS Name: (5-methyl-2-phenyl-4-triazolyl)-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]methanone IUPAC Name: (5-methyl-2-phenyltriazol-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Traditional Name: (5-methyl-2-phenyl-triazol-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)N2CCCCCC2C3=CC=CN3C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)N2CCCCCC2C3=CC=CN3C)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O/c1-16-20(23-26(22-16)17-10-5-3-6-11-17)21(27)25-15-8-4-7-12-19(25)18-13-9-14-24(18)2/h3,5-6,9-11,13-14,19H,4,7-8,12,15H2,1-2H3