6-azanyl-4-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]-7-ethoxy-quinoline-3-carbonitrile

Systemtic Name: 6-azanyl-4-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]-7-ethoxy-quinoline-3-carbonitrile Openeye Name: 6-amino-4-(4-benzyloxy-3-chloro-anilino)-7-ethoxy-quinoline-3-carbonitrile CAS Name: 6-amino-4-(3-chloro-4-phenylmethoxyanilino)-7-ethoxy-3-quinolinecarbonitrile IUPAC Name: 6-amino-4-(3-chloro-4-phenylmethoxyanilino)-7-ethoxyquinoline-3-carbonitrile Traditional Name: 6-amino-4-(4-benzoxy-3-chloro-anilino)-7-ethoxy-quinoline-3-carbonitrile Formula: C25H21ClN4O2 MolecularWeight: 444.91284

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN4O2/c1-2-31-24-12-22-19(11-21(24)28)25(17(13-27)14-29-22)30-18-8-9-23(20(26)10-18)32-15-16-6-4-3-5-7-16/h3-12,14H,2,15,28H2,1H3,(H,29,30)