6-azanyl-4-[[3-chloranyl-4-(imidazol-1-ylmethyl)phenyl]amino]-7-ethoxy-quinoline-3-carbonitrile

Systemtic Name: 6-azanyl-4-[[3-chloranyl-4-(imidazol-1-ylmethyl)phenyl]amino]-7-ethoxy-quinoline-3-carbonitrile Openeye Name: 6-amino-4-[3-chloro-4-(imidazol-1-ylmethyl)anilino]-7-ethoxy-quinoline-3-carbonitrile CAS Name: 6-amino-4-[3-chloro-4-(1-imidazolylmethyl)anilino]-7-ethoxy-3-quinolinecarbonitrile IUPAC Name: 6-amino-4-[3-chloro-4-(imidazol-1-ylmethyl)anilino]-7-ethoxyquinoline-3-carbonitrile Traditional Name: 6-amino-4-[3-chloro-4-(imidazol-1-ylmethyl)anilino]-7-ethoxy-quinoline-3-carbonitrile Formula: C22H19ClN6O MolecularWeight: 418.87886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)CN4C=CN=C4)Cl)C#N)N

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)CN4C=CN=C4)Cl)C#N)N

InChI

InChI=1S/C22H19ClN6O/c1-2-30-21-9-20-17(8-19(21)25)22(15(10-24)11-27-20)28-16-4-3-14(18(23)7-16)12-29-6-5-26-13-29/h3-9,11,13H,2,12,25H2,1H3,(H,27,28)