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

Systemtic Name: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-2-phenyl-1,2,3-triazol-4-yl)methanone Openeye Name: [4-[(3,5-dimethylisoxazol-4-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-2-phenyl-triazol-4-yl)methanone CAS Name: [4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1,4-diazepan-1-yl]-(5-methyl-2-phenyl-4-triazolyl)methanone IUPAC Name: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone Traditional Name: [4-[(3,5-dimethylisoxazol-4-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-2-phenyl-triazol-4-yl)methanone Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=O)C3=NN(N=C3C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=O)C3=NN(N=C3C)C4=CC=CC=C4

InChI

InChI=1S/C21H26N6O2/c1-15-19(17(3)29-24-15)14-25-10-7-11-26(13-12-25)21(28)20-16(2)22-27(23-20)18-8-5-4-6-9-18/h4-6,8-9H,7,10-14H2,1-3H3