4-[4-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]-3-cyano-7-ethoxy-quinolin-6-yl]-3,4-bis(dimethylamino)butanamide

Systemtic Name: 4-[4-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]-3-cyano-7-ethoxy-quinolin-6-yl]-3,4-bis(dimethylamino)butanamide Openeye Name: 4-[4-(4-benzyloxy-3-chloro-anilino)-3-cyano-7-ethoxy-6-quinolyl]-3,4-bis(dimethylamino)butanamide CAS Name: 4-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxy-6-quinolinyl]-3,4-bis(dimethylamino)butanamide IUPAC Name: 4-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]-3,4-bis(dimethylamino)butanamide Traditional Name: 4-[4-(4-benzoxy-3-chloro-anilino)-3-cyano-7-ethoxy-6-quinolyl]-3,4-bis(dimethylamino)butyramide Formula: C33H37ClN6O3 MolecularWeight: 601.13828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl)C#N)C(C(CC(=O)N)N(C)C)N(C)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl)C#N)C(C(CC(=O)N)N(C)C)N(C)C

InChI

InChI=1S/C33H37ClN6O3/c1-6-42-30-16-27-24(15-25(30)33(40(4)5)28(39(2)3)17-31(36)41)32(22(18-35)19-37-27)38-23-12-13-29(26(34)14-23)43-20-21-10-8-7-9-11-21/h7-16,19,28,33H,6,17,20H2,1-5H3,(H2,36,41)(H,37,38)