4-[(3-bromophenyl)amino]-3-cyano-1,4,4a,8a-tetrahydro-1,7-naphthyridine-2-carboxamide

Systemtic Name: 4-[(3-bromophenyl)amino]-3-cyano-1,4,4a,8a-tetrahydro-1,7-naphthyridine-2-carboxamide Openeye Name: 4-(3-bromoanilino)-3-cyano-1,4,4a,8a-tetrahydro-1,7-naphthyridine-2-carboxamide CAS Name: 4-(3-bromoanilino)-3-cyano-1,4,4a,8a-tetrahydro-1,7-naphthyridine-2-carboxamide IUPAC Name: 4-(3-bromoanilino)-3-cyano-1,4,4a,8a-tetrahydro-1,7-naphthyridine-2-carboxamide Traditional Name: 4-(3-bromoanilino)-3-cyano-1,4,4a,8a-tetrahydro-1,7-naphthyridine-2-carboxamide Formula: C16H14BrN5O MolecularWeight: 372.21926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2C3C=CN=CC3NC(=C2C#N)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2C3C=CN=CC3NC(=C2C#N)C(=O)N

InChI

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