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

Systemtic Name: N-[(2S)-4-methyl-1-[4-[3-methylbutyl-(4-phenylmethoxyphenyl)amino]piperidin-1-yl]-1-oxidanylidene-pentan-2-yl]azepane-1-carboxamide Openeye Name: N-[(1S)-1-[4-(4-benzyloxy-N-isopentyl-anilino)piperidine-1-carbonyl]-3-methyl-butyl]azepane-1-carboxamide CAS Name: N-[(2S)-4-methyl-1-[4-[N-(3-methylbutyl)-4-phenylmethoxyanilino]-1-piperidinyl]-1-oxopentan-2-yl]-1-azepanecarboxamide IUPAC Name: N-[(2S)-4-methyl-1-[4-[N-(3-methylbutyl)-4-phenylmethoxyanilino]piperidin-1-yl]-1-oxopentan-2-yl]azepane-1-carboxamide Traditional Name: N-[(1S)-1-[4-(4-benzoxy-N-isoamyl-anilino)piperidine-1-carbonyl]-3-methyl-butyl]azepane-1-carboxamide Formula: C36H54N4O3 MolecularWeight: 590.83896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1CCN(CC1)C(=O)C(CC(C)C)NC(=O)N2CCCCCC2)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CCN(C1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C36H54N4O3/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/h7-9,12-17,28-29,32,34H,5-6,10-11,18-27H2,1-4H3,(H,37,42)/t34-/m0/s1