(5-methyl-2-phenyl-1,2,3-triazol-4-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-methyl-2-phenyl-1,2,3-triazol-4-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-methyl-2-phenyl-triazol-4-yl)-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-methyl-2-phenyl-4-triazolyl)-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-methyl-2-phenyltriazol-4-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (5-methyl-2-phenyl-triazol-4-yl)-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C21H24N6O MolecularWeight: 376.45486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)N2CCCN(CC2)CC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)N2CCCN(CC2)CC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N6O/c1-17-20(24-27(23-17)19-8-3-2-4-9-19)21(28)26-12-6-11-25(13-14-26)16-18-7-5-10-22-15-18/h2-5,7-10,15H,6,11-14,16H2,1H3