5-[(3-bromophenyl)amino]-6-cyano-1,4,4a,8a-tetrahydro-1,8-naphthyridine-2-carboxamide

Systemtic Name: 5-[(3-bromophenyl)amino]-6-cyano-1,4,4a,8a-tetrahydro-1,8-naphthyridine-2-carboxamide Openeye Name: 5-(3-bromoanilino)-6-cyano-1,4,4a,8a-tetrahydro-1,8-naphthyridine-2-carboxamide CAS Name: 5-(3-bromoanilino)-6-cyano-1,4,4a,8a-tetrahydro-1,8-naphthyridine-2-carboxamide IUPAC Name: 5-(3-bromoanilino)-6-cyano-1,4,4a,8a-tetrahydro-1,8-naphthyridine-2-carboxamide Traditional Name: 5-(3-bromoanilino)-6-cyano-1,4,4a,8a-tetrahydro-1,8-naphthyridine-2-carboxamide Formula: C16H14BrN5O MolecularWeight: 372.21926

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(NC2C1C(=C(C=N2)C#N)NC3=CC(=CC=C3)Br)C(=O)N

Isomeric SMILES

C1C=C(NC2C1C(=C(C=N2)C#N)NC3=CC(=CC=C3)Br)C(=O)N

InChI

InChI=1S/C16H14BrN5O/c17-10-2-1-3-11(6-10)21-14-9(7-18)8-20-16-12(14)4-5-13(22-16)15(19)23/h1-3,5-6,8,12,16,21-22H,4H2,(H2,19,23)