(E)-N-(1-adamantyl)-4-[3,4-bis(azanyl)phenyl]but-3-enamide

Systemtic Name: (E)-N-(1-adamantyl)-4-[3,4-bis(azanyl)phenyl]but-3-enamide Openeye Name: (E)-N-(1-adamantyl)-4-(3,4-diaminophenyl)but-3-enamide CAS Name: (E)-N-(1-adamantyl)-4-(3,4-diaminophenyl)-3-butenamide IUPAC Name: (E)-N-(1-adamantyl)-4-(3,4-diaminophenyl)but-3-enamide Traditional Name: (E)-N-(1-adamantyl)-4-(3,4-diaminophenyl)but-3-enamide Formula: C20H27N3O MolecularWeight: 325.44788

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CC=CC4=CC(=C(C=C4)N)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C/C=C/C4=CC(=C(C=C4)N)N

InChI

InChI=1S/C20H27N3O/c21-17-5-4-13(9-18(17)22)2-1-3-19(24)23-20-10-14-6-15(11-20)8-16(7-14)12-20/h1-2,4-5,9,14-16H,3,6-8,10-12,21-22H2,(H,23,24)/b2-1+