N-[(E)-anthracen-9-ylmethylideneamino]-4-(3-methylbutanoylamino)benzamide

Systemtic Name: N-[(E)-anthracen-9-ylmethylideneamino]-4-(3-methylbutanoylamino)benzamide Openeye Name: N-[(E)-9-anthrylmethyleneamino]-4-(3-methylbutanoylamino)benzamide CAS Name: N-[(E)-9-anthracenylmethylideneamino]-4-[(3-methyl-1-oxobutyl)amino]benzamide IUPAC Name: N-[(E)-anthracen-9-ylmethylideneamino]-4-(3-methylbutanoylamino)benzamide Traditional Name: N-[(E)-9-anthrylmethyleneamino]-4-(isovalerylamino)benzamide Formula: C27H25N3O2 MolecularWeight: 423.5063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=C3C=CC=CC3=CC4=CC=CC=C42

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)N/N=C/C2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C27H25N3O2/c1-18(2)15-26(31)29-22-13-11-19(12-14-22)27(32)30-28-17-25-23-9-5-3-7-20(23)16-21-8-4-6-10-24(21)25/h3-14,16-18H,15H2,1-2H3,(H,29,31)(H,30,32)/b28-17+