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

Systemtic Name: 4-[(3-bromophenyl)amino]-3-cyano-1,4,4a,8a-tetrahydroquinoline-2-carboxamide Openeye Name: 4-(3-bromoanilino)-3-cyano-1,4,4a,8a-tetrahydroquinoline-2-carboxamide CAS Name: 4-(3-bromoanilino)-3-cyano-1,4,4a,8a-tetrahydroquinoline-2-carboxamide IUPAC Name: 4-(3-bromoanilino)-3-cyano-1,4,4a,8a-tetrahydroquinoline-2-carboxamide Traditional Name: 4-(3-bromoanilino)-3-cyano-1,4,4a,8a-tetrahydroquinoline-2-carboxamide Formula: C17H15BrN4O MolecularWeight: 371.2312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(C=C1)NC(=C(C2NC3=CC(=CC=C3)Br)C#N)C(=O)N

Isomeric SMILES

C1=CC2C(C=C1)NC(=C(C2NC3=CC(=CC=C3)Br)C#N)C(=O)N

InChI

InChI=1S/C17H15BrN4O/c18-10-4-3-5-11(8-10)21-15-12-6-1-2-7-14(12)22-16(17(20)23)13(15)9-19/h1-8,12,14-15,21-22H,(H2,20,23)