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

Systemtic Name: 2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-[4-[2-(tert-butylamino)-2-oxo-ethyl]-1,4-diazepan-1-yl]butanamide CAS Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]butanamide Traditional Name: N-benzyl-2-[4-[2-(tert-butylamino)-2-keto-ethyl]-1,4-diazepan-1-yl]butyramide Formula: C22H36N4O2 MolecularWeight: 388.54684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)N2CCCN(CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)N2CCCN(CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C22H36N4O2/c1-5-19(21(28)23-16-18-10-7-6-8-11-18)26-13-9-12-25(14-15-26)17-20(27)24-22(2,3)4/h6-8,10-11,19H,5,9,12-17H2,1-4H3,(H,23,28)(H,24,27)