N-[(2S)-4-methyl-1-[4-[3-methylbut-2-enyl-(4-phenylmethoxyphenyl)amino]piperidin-1-yl]-1-oxidanylidene-pentan-2-yl]azepane-1-carboxamide

Systemtic Name: N-[(2S)-4-methyl-1-[4-[3-methylbut-2-enyl-(4-phenylmethoxyphenyl)amino]piperidin-1-yl]-1-oxidanylidene-pentan-2-yl]azepane-1-carboxamide Openeye Name: N-[(1S)-1-[4-[4-benzyloxy-N-(3-methylbut-2-enyl)anilino]piperidine-1-carbonyl]-3-methyl-butyl]azepane-1-carboxamide CAS Name: N-[(2S)-4-methyl-1-[4-[N-(3-methylbut-2-enyl)-4-phenylmethoxyanilino]-1-piperidinyl]-1-oxopentan-2-yl]-1-azepanecarboxamide IUPAC Name: N-[(2S)-4-methyl-1-[4-[N-(3-methylbut-2-enyl)-4-phenylmethoxyanilino]piperidin-1-yl]-1-oxopentan-2-yl]azepane-1-carboxamide Traditional Name: N-[(1S)-1-[4-[4-benzoxy-N-(3-methylbut-2-enyl)anilino]piperidine-1-carbonyl]-3-methyl-butyl]azepane-1-carboxamide Formula: C36H52N4O3 MolecularWeight: 588.82308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCC(CC1)N(CC=C(C)C)C2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)N4CCCCCC4

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC(CC1)N(CC=C(C)C)C2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)N4CCCCCC4

InChI

InChI=1S/C36H52N4O3/c1-28(2)18-25-40(31-14-16-33(17-15-31)43-27-30-12-8-7-9-13-30)32-19-23-38(24-20-32)35(41)34(26-29(3)4)37-36(42)39-21-10-5-6-11-22-39/h7-9,12-18,29,32,34H,5-6,10-11,19-27H2,1-4H3,(H,37,42)/t34-/m0/s1