methyl 1-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]methylamino]cyclopentane-1-carboxylate

Systemtic Name: methyl 1-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]methylamino]cyclopentane-1-carboxylate Openeye Name: methyl 1-[(4-chloro-1-guanidino-7-isoquinolyl)methylamino]cyclopentanecarboxylate CAS Name: 1-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]methylamino]-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]methylamino]cyclopentane-1-carboxylate Traditional Name: 1-[(4-chloro-1-guanidino-7-isoquinolyl)methylamino]cyclopentanecarboxylic acid methyl ester Formula: C18H22ClN5O2 MolecularWeight: 375.85258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCC1)NCC2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

COC(=O)C1(CCCC1)NCC2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C18H22ClN5O2/c1-26-16(25)18(6-2-3-7-18)23-9-11-4-5-12-13(8-11)15(24-17(20)21)22-10-14(12)19/h4-5,8,10,23H,2-3,6-7,9H2,1H3,(H4,20,21,22,24)