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

Systemtic Name: N-[4-methyl-1-[[1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]azepane-1-carboxamide Openeye Name: N-[1-[[1-[(4-benzyloxyphenyl)methyl]-2-morpholino-ethyl]carbamoyl]-3-methyl-butyl]azepane-1-carboxamide CAS Name: N-[4-methyl-1-[[1-(4-morpholinyl)-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-1-oxopentan-2-yl]-1-azepanecarboxamide IUPAC Name: N-[4-methyl-1-[[1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-1-oxopentan-2-yl]azepane-1-carboxamide Traditional Name: N-[1-[[1-(4-benzoxybenzyl)-2-morpholino-ethyl]carbamoyl]-3-methyl-butyl]azepane-1-carboxamide Formula: C33H48N4O4 MolecularWeight: 564.75862

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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)CN3CCOCC3)NC(=O)N4CCCCCC4

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)CN3CCOCC3)NC(=O)N4CCCCCC4

InChI

InChI=1S/C33H48N4O4/c1-26(2)22-31(35-33(39)37-16-8-3-4-9-17-37)32(38)34-29(24-36-18-20-40-21-19-36)23-27-12-14-30(15-13-27)41-25-28-10-6-5-7-11-28/h5-7,10-15,26,29,31H,3-4,8-9,16-25H2,1-2H3,(H,34,38)(H,35,39)