4-tert-butyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide Openeye Name: N-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxo-ethyl]-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[2-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide IUPAC Name: N-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-tert-butylbenzamide Traditional Name: N-[2-(4-benzyl-1,4-diazepan-1-yl)-2-keto-ethyl]-4-tert-butyl-benzamide Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O2/c1-25(2,3)22-12-10-21(11-13-22)24(30)26-18-23(29)28-15-7-14-27(16-17-28)19-20-8-5-4-6-9-20/h4-6,8-13H,7,14-19H2,1-3H3,(H,26,30)