N-[(2S)-4-methyl-1-[4-[3-methylbut-2-enyl-(4-phenethylphenyl)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-phenethylphenyl)amino]piperidin-1-yl]-1-oxidanylidene-pentan-2-yl]azepane-1-carboxamide Openeye Name: N-[(1S)-3-methyl-1-[4-[N-(3-methylbut-2-enyl)-4-phenethyl-anilino]piperidine-1-carbonyl]butyl]azepane-1-carboxamide CAS Name: N-[(2S)-4-methyl-1-[4-[N-(3-methylbut-2-enyl)-4-phenethylanilino]-1-piperidinyl]-1-oxopentan-2-yl]-1-azepanecarboxamide IUPAC Name: N-[(2S)-4-methyl-1-[4-[N-(3-methylbut-2-enyl)-4-phenethylanilino]piperidin-1-yl]-1-oxopentan-2-yl]azepane-1-carboxamide Traditional Name: N-[(1S)-3-methyl-1-[4-[N-(3-methylbut-2-enyl)-4-phenethyl-anilino]piperidine-1-carbonyl]butyl]azepane-1-carboxamide Formula: C37H54N4O2 MolecularWeight: 586.85026

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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)CCC3=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)CCC3=CC=CC=C3)NC(=O)N4CCCCCC4

InChI

InChI=1S/C37H54N4O2/c1-29(2)20-27-41(33-18-16-32(17-19-33)15-14-31-12-8-7-9-13-31)34-21-25-39(26-22-34)36(42)35(28-30(3)4)38-37(43)40-23-10-5-6-11-24-40/h7-9,12-13,16-20,30,34-35H,5-6,10-11,14-15,21-28H2,1-4H3,(H,38,43)/t35-/m0/s1