2-(benzotriazol-1-yl)-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(benzotriazol-1-yl)-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(benzotriazol-1-yl)-1-[4-(tetrahydrofuran-2-ylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(1-benzotriazolyl)-1-[4-(2-oxolanylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(benzotriazol-1-yl)-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-[4-(tetrahydrofurfuryl)-1,4-diazepan-1-yl]ethanone Formula: C18H25N5O2 MolecularWeight: 343.4234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2CCCN(CC2)C(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CC(OC1)CN2CCCN(CC2)C(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H25N5O2/c24-18(14-23-17-7-2-1-6-16(17)19-20-23)22-9-4-8-21(10-11-22)13-15-5-3-12-25-15/h1-2,6-7,15H,3-5,8-14H2