1-(azepan-1-yl)-2-[4-[(2-phenyl-1,2,3-triazol-4-yl)carbonyl]piperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[(2-phenyl-1,2,3-triazol-4-yl)carbonyl]piperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(2-phenyltriazole-4-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[oxo-(2-phenyl-4-triazolyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(2-phenyltriazole-4-carbonyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(2-phenyltriazole-4-carbonyl)piperazino]ethanone Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=NN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=NN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H28N6O2/c28-20(25-10-6-1-2-7-11-25)17-24-12-14-26(15-13-24)21(29)19-16-22-27(23-19)18-8-4-3-5-9-18/h3-5,8-9,16H,1-2,6-7,10-15,17H2