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

Systemtic Name: 4-[(4-bromophenyl)amino]-N-[(E)-pyren-4-ylmethylideneamino]butanamide Openeye Name: 4-(4-bromoanilino)-N-[(E)-pyren-4-ylmethyleneamino]butanamide CAS Name: 4-(4-bromoanilino)-N-[(E)-4-pyrenylmethylideneamino]butanamide IUPAC Name: 4-(4-bromoanilino)-N-[(E)-pyren-4-ylmethylideneamino]butanamide Traditional Name: 4-(4-bromoanilino)-N-[(E)-pyren-4-ylmethyleneamino]butyramide Formula: C27H22BrN3O MolecularWeight: 484.38708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)C=NNC(=O)CCCNC5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)/C=N/NC(=O)CCCNC5=CC=C(C=C5)Br

InChI

InChI=1S/C27H22BrN3O/c28-22-11-13-23(14-12-22)29-15-3-8-25(32)31-30-17-21-16-20-6-1-4-18-9-10-19-5-2-7-24(21)27(19)26(18)20/h1-2,4-7,9-14,16-17,29H,3,8,15H2,(H,31,32)/b30-17+