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

Systemtic Name: N-[(2S)-4-methyl-1-oxidanylidene-1-[4-[(4-phenylmethoxyphenyl)amino]piperidin-1-yl]pentan-2-yl]azepane-1-carboxamide Openeye Name: N-[(1S)-1-[4-(4-benzyloxyanilino)piperidine-1-carbonyl]-3-methyl-butyl]azepane-1-carboxamide CAS Name: N-[(2S)-4-methyl-1-oxo-1-[4-(4-phenylmethoxyanilino)-1-piperidinyl]pentan-2-yl]-1-azepanecarboxamide IUPAC Name: N-[(2S)-4-methyl-1-oxo-1-[4-(4-phenylmethoxyanilino)piperidin-1-yl]pentan-2-yl]azepane-1-carboxamide Traditional Name: N-[(1S)-1-[4-(4-benzoxyanilino)piperidine-1-carbonyl]-3-methyl-butyl]azepane-1-carboxamide Formula: C31H44N4O3 MolecularWeight: 520.70606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCC(CC1)NC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)N4CCCCCC4

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC(CC1)NC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)N4CCCCCC4

InChI

InChI=1S/C31H44N4O3/c1-24(2)22-29(33-31(37)35-18-8-3-4-9-19-35)30(36)34-20-16-27(17-21-34)32-26-12-14-28(15-13-26)38-23-25-10-6-5-7-11-25/h5-7,10-15,24,27,29,32H,3-4,8-9,16-23H2,1-2H3,(H,33,37)/t29-/m0/s1