4-(2H-benzotriazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile

Systemtic Name: 4-(2H-benzotriazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile Openeye Name: 4-(2H-benzotriazol-5-ylamino)-7-methoxy-6-(3-morpholinopropoxy)quinoline-3-carbonitrile CAS Name: 4-(2H-benzotriazol-5-ylamino)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 4-(2H-benzotriazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile Traditional Name: 4-(2H-benzotriazol-5-ylamino)-7-methoxy-6-(3-morpholinopropoxy)quinoline-3-carbonitrile Formula: C24H25N7O3 MolecularWeight: 459.5004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC4=NNN=C4C=C3)C#N)OCCCN5CCOCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC4=NNN=C4C=C3)C#N)OCCCN5CCOCC5

InChI

InChI=1S/C24H25N7O3/c1-32-22-13-20-18(12-23(22)34-8-2-5-31-6-9-33-10-7-31)24(16(14-25)15-26-20)27-17-3-4-19-21(11-17)29-30-28-19/h3-4,11-13,15H,2,5-10H2,1H3,(H,26,27)(H,28,29,30)