2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylamino]-2-cyclopentyl-ethanoic acid

Systemtic Name: 2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylamino]-2-cyclopentyl-ethanoic acid Openeye Name: 2-[(4-chloro-1-guanidino-isoquinoline-7-carbonyl)amino]-2-cyclopentyl-acetic acid CAS Name: 2-[[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]-oxomethyl]amino]-2-cyclopentylacetic acid IUPAC Name: 2-[[4-chloro-1-(diaminomethylideneamino)isoquinoline-7-carbonyl]amino]-2-cyclopentylacetic acid Traditional Name: 2-[(4-chloro-1-guanidino-isoquinoline-7-carbonyl)amino]-2-cyclopentyl-acetic acid Formula: C18H20ClN5O3 MolecularWeight: 389.8361

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

C1CCC(C1)C(C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C18H20ClN5O3/c19-13-8-22-15(24-18(20)21)12-7-10(5-6-11(12)13)16(25)23-14(17(26)27)9-3-1-2-4-9/h5-9,14H,1-4H2,(H,23,25)(H,26,27)(H4,20,21,22,24)