2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-N-(4-dimethylaminophenyl)butanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-N-(4-dimethylaminophenyl)butanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-(4-dimethylaminophenyl)butanamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinylmethyl)amino]-N-(4-dimethylaminophenyl)butanamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-(4-dimethylaminophenyl)butanamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-(4-dimethylaminophenyl)butyramide Formula: C26H29N7O2 MolecularWeight: 471.55416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)N(C)C)N(CC2=CN=CC=C2)C(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)N(C)C)N(CC2=CN=CC=C2)C(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C26H29N7O2/c1-4-23(26(35)28-20-11-13-21(14-12-20)31(2)3)32(17-19-8-7-15-27-16-19)25(34)18-33-24-10-6-5-9-22(24)29-30-33/h5-16,23H,4,17-18H2,1-3H3,(H,28,35)