N1-[(2S,3S)-3-azanyl-1-phenyl-heptan-2-yl]-N3-butyl-5-(2-cyanophenyl)-N3-methyl-benzene-1,3-dicarboxamide

Systemtic Name: N1-[(2S,3S)-3-azanyl-1-phenyl-heptan-2-yl]-N3-butyl-5-(2-cyanophenyl)-N3-methyl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S,2S)-2-amino-1-benzyl-hexyl]-N3-butyl-5-(2-cyanophenyl)-N3-methyl-benzene-1,3-dicarboxamide CAS Name: N1-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-N3-butyl-5-(2-cyanophenyl)-N3-methylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-3-N-butyl-5-(2-cyanophenyl)-3-N-methylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S,2S)-2-amino-1-benzyl-hexyl]-N'-butyl-5-(2-cyanophenyl)-N'-methyl-isophthalamide Formula: C33H40N4O2 MolecularWeight: 524.6963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)C3=CC=CC=C3C#N)C(=O)N(C)CCCC)N

Isomeric SMILES

CCCC[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)C3=CC=CC=C3C#N)C(=O)N(C)CCCC)N

InChI

InChI=1S/C33H40N4O2/c1-4-6-17-30(35)31(19-24-13-9-8-10-14-24)36-32(38)27-20-26(29-16-12-11-15-25(29)23-34)21-28(22-27)33(39)37(3)18-7-5-2/h8-16,20-22,30-31H,4-7,17-19,35H2,1-3H3,(H,36,38)/t30-,31-/m0/s1