4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(2-hydroxyethylamino)methyl]quinoline-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(2-hydroxyethylamino)methyl]quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-[(2-hydroxyethylamino)methyl]quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(2-hydroxyethylamino)methyl]-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(2-hydroxyethylamino)methyl]quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-[(2-hydroxyethylamino)methyl]quinoline-6-carbonitrile Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CNCCO)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CNCCO)C#N)Cl

InChI

InChI=1S/C21H21ClN4O2/c1-28-20-5-3-15(9-18(20)22)11-26-21-16(12-24-6-7-27)13-25-19-4-2-14(10-23)8-17(19)21/h2-5,8-9,13,24,27H,6-7,11-12H2,1H3,(H,25,26)