N-[4-[(3-bromophenyl)amino]-3-cyano-8-(dimethylaminomethyl)quinolin-6-yl]prop-2-enamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]-3-cyano-8-(dimethylaminomethyl)quinolin-6-yl]prop-2-enamide Openeye Name: N-[4-(3-bromoanilino)-3-cyano-8-(dimethylaminomethyl)-6-quinolyl]prop-2-enamide CAS Name: N-[4-(3-bromoanilino)-3-cyano-8-(dimethylaminomethyl)-6-quinolinyl]-2-propenamide IUPAC Name: N-[4-(3-bromoanilino)-3-cyano-8-(dimethylaminomethyl)quinolin-6-yl]prop-2-enamide Traditional Name: N-[4-(3-bromoanilino)-3-cyano-8-(dimethylaminomethyl)-6-quinolyl]acrylamide Formula: C22H20BrN5O MolecularWeight: 450.3311

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C2C(=CC(=C1)NC(=O)C=C)C(=C(C=N2)C#N)NC3=CC(=CC=C3)Br

Isomeric SMILES

CN(C)CC1=C2C(=CC(=C1)NC(=O)C=C)C(=C(C=N2)C#N)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H20BrN5O/c1-4-20(29)26-18-8-14(13-28(2)3)21-19(10-18)22(15(11-24)12-25-21)27-17-7-5-6-16(23)9-17/h4-10,12H,1,13H2,2-3H3,(H,25,27)(H,26,29)