4-[(4-methylphenyl)amino]-N-[(E)-pyren-1-ylmethylideneamino]butanamide

Systemtic Name: 4-[(4-methylphenyl)amino]-N-[(E)-pyren-1-ylmethylideneamino]butanamide Openeye Name: 4-(4-methylanilino)-N-[(E)-pyren-1-ylmethyleneamino]butanamide CAS Name: 4-(4-methylanilino)-N-[(E)-1-pyrenylmethylideneamino]butanamide IUPAC Name: 4-(4-methylanilino)-N-[(E)-pyren-1-ylmethylideneamino]butanamide Traditional Name: 4-(p-toluidino)-N-[(E)-pyren-1-ylmethyleneamino]butyramide Formula: C28H25N3O MolecularWeight: 419.5176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCCCC(=O)NN=CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

CC1=CC=C(C=C1)NCCCC(=O)N/N=C/C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C28H25N3O/c1-19-7-14-24(15-8-19)29-17-3-6-26(32)31-30-18-23-12-11-22-10-9-20-4-2-5-21-13-16-25(23)28(22)27(20)21/h2,4-5,7-16,18,29H,3,6,17H2,1H3,(H,31,32)/b30-18+