(2S)-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)ethanoyl]amino]-N-cyclohexyl-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)ethanoyl]amino]-N-cyclohexyl-2-phenyl-ethanamide Openeye Name: (2S)-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclohexyl-2-phenyl-acetamide CAS Name: (2S)-2-[1,3-benzodioxol-5-yl-[2-(1-benzotriazolyl)-1-oxoethyl]amino]-N-cyclohexyl-2-phenylacetamide IUPAC Name: (2S)-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclohexyl-2-phenylacetamide Traditional Name: (2S)-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclohexyl-2-phenyl-acetamide Formula: C29H29N5O4 MolecularWeight: 511.57166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC=CC=C2)N(C3=CC4=C(C=C3)OCO4)C(=O)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CCC(CC1)NC(=O)[C@H](C2=CC=CC=C2)N(C3=CC4=C(C=C3)OCO4)C(=O)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C29H29N5O4/c35-27(18-33-24-14-8-7-13-23(24)31-32-33)34(22-15-16-25-26(17-22)38-19-37-25)28(20-9-3-1-4-10-20)29(36)30-21-11-5-2-6-12-21/h1,3-4,7-10,13-17,21,28H,2,5-6,11-12,18-19H2,(H,30,36)/t28-/m0/s1