N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-4-(1H-indol-3-yl)butanamide

Systemtic Name: N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-4-(1H-indol-3-yl)butanamide Openeye Name: N-[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]-4-(1H-indol-3-yl)butanamide CAS Name: N-[(E)-1-(1-benzotriazolyl)propan-2-ylideneamino]-4-(1H-indol-3-yl)butanamide IUPAC Name: N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-4-(1H-indol-3-yl)butanamide Traditional Name: N-[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]-4-(1H-indol-3-yl)butyramide Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CCCC1=CNC2=CC=CC=C21)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C/C(=N\NC(=O)CCCC1=CNC2=CC=CC=C21)/CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H22N6O/c1-15(14-27-20-11-5-4-10-19(20)24-26-27)23-25-21(28)12-6-7-16-13-22-18-9-3-2-8-17(16)18/h2-5,8-11,13,22H,6-7,12,14H2,1H3,(H,25,28)/b23-15+