tert-butyl 2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[(4-chloro-1-guanidino-isoquinoline-7-carbonyl)amino]-3-phenyl-propanoate CAS Name: 2-[[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-chloro-1-(diaminomethylideneamino)isoquinoline-7-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[(4-chloro-1-guanidino-isoquinoline-7-carbonyl)amino]-3-phenyl-propionic acid tert-butyl ester Formula: C24H26ClN5O3 MolecularWeight: 467.94794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C24H26ClN5O3/c1-24(2,3)33-22(32)19(11-14-7-5-4-6-8-14)29-21(31)15-9-10-16-17(12-15)20(30-23(26)27)28-13-18(16)25/h4-10,12-13,19H,11H2,1-3H3,(H,29,31)(H4,26,27,28,30)