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

Systemtic Name: (5-methyl-2-phenyl-1,2,3-triazol-4-yl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-methyl-2-phenyl-triazol-4-yl)-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-methyl-2-phenyl-4-triazolyl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-methyl-2-phenyltriazol-4-yl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (5-methyl-2-phenyl-triazol-4-yl)-[4-(4-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=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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