N-[1-[[1-(tert-butylamino)-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azepane-1-carboxamide

Systemtic Name: N-[1-[[1-(tert-butylamino)-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azepane-1-carboxamide Openeye Name: N-[1-[[1-[(4-benzyloxyphenyl)methyl]-2-(tert-butylamino)ethyl]carbamoyl]-3-methyl-butyl]azepane-1-carboxamide CAS Name: N-[1-[[1-(tert-butylamino)-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-azepanecarboxamide IUPAC Name: N-[1-[[1-(tert-butylamino)-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azepane-1-carboxamide Traditional Name: N-[1-[[1-(4-benzoxybenzyl)-2-(tert-butylamino)ethyl]carbamoyl]-3-methyl-butyl]azepane-1-carboxamide Formula: C33H50N4O3 MolecularWeight: 550.7751

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)CNC(C)(C)C)NC(=O)N3CCCCCC3

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)CNC(C)(C)C)NC(=O)N3CCCCCC3

InChI

InChI=1S/C33H50N4O3/c1-25(2)21-30(36-32(39)37-19-11-6-7-12-20-37)31(38)35-28(23-34-33(3,4)5)22-26-15-17-29(18-16-26)40-24-27-13-9-8-10-14-27/h8-10,13-18,25,28,30,34H,6-7,11-12,19-24H2,1-5H3,(H,35,38)(H,36,39)