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

Systemtic Name: N-[(2S)-1-[4-[ethyl-(4-phenylmethoxyphenyl)amino]piperidin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]azepane-1-carboxamide Openeye Name: N-[(1S)-1-[4-(4-benzyloxy-N-ethyl-anilino)piperidine-1-carbonyl]-3-methyl-butyl]azepane-1-carboxamide CAS Name: N-[(2S)-1-[4-(N-ethyl-4-phenylmethoxyanilino)-1-piperidinyl]-4-methyl-1-oxopentan-2-yl]-1-azepanecarboxamide IUPAC Name: N-[(2S)-1-[4-(N-ethyl-4-phenylmethoxyanilino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]azepane-1-carboxamide Traditional Name: N-[(1S)-1-[4-(4-benzoxy-N-ethyl-anilino)piperidine-1-carbonyl]-3-methyl-butyl]azepane-1-carboxamide Formula: C33H48N4O3 MolecularWeight: 548.75922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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/C33H48N4O3/c1-4-37(28-14-16-30(17-15-28)40-25-27-12-8-7-9-13-27)29-18-22-35(23-19-29)32(38)31(24-26(2)3)34-33(39)36-20-10-5-6-11-21-36/h7-9,12-17,26,29,31H,4-6,10-11,18-25H2,1-3H3,(H,34,39)/t31-/m0/s1