butyl 2-[[2-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylphenyl]amino]propanoate

Systemtic Name: butyl 2-[[2-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylphenyl]amino]propanoate Openeye Name: butyl 2-[2-(4-chloro-1-guanidino-isoquinoline-7-carbonyl)anilino]propanoate CAS Name: 2-[2-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]-oxomethyl]anilino]propanoic acid butyl ester IUPAC Name: butyl 2-[2-[4-chloro-1-(diaminomethylideneamino)isoquinoline-7-carbonyl]anilino]propanoate Traditional Name: 2-[2-(4-chloro-1-guanidino-isoquinoline-7-carbonyl)anilino]propionic acid butyl ester Formula: C24H26ClN5O3 MolecularWeight: 467.94794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)NC1=CC=CC=C1C(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

CCCCOC(=O)C(C)NC1=CC=CC=C1C(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C24H26ClN5O3/c1-3-4-11-33-23(32)14(2)29-20-8-6-5-7-17(20)21(31)15-9-10-16-18(12-15)22(30-24(26)27)28-13-19(16)25/h5-10,12-14,29H,3-4,11H2,1-2H3,(H4,26,27,28,30)