methyl 4-[[4-(azepan-1-yl)-2-chloranyl-phenyl]methylcarbamoylamino]indazole-1-carboxylate

Systemtic Name: methyl 4-[[4-(azepan-1-yl)-2-chloranyl-phenyl]methylcarbamoylamino]indazole-1-carboxylate Openeye Name: methyl 4-[[4-(azepan-1-yl)-2-chloro-phenyl]methylcarbamoylamino]indazole-1-carboxylate CAS Name: 4-[[[[4-(1-azepanyl)-2-chlorophenyl]methylamino]-oxomethyl]amino]-1-indazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(azepan-1-yl)-2-chlorophenyl]methylcarbamoylamino]indazole-1-carboxylate Traditional Name: 4-[[4-(azepan-1-yl)-2-chloro-benzyl]carbamoylamino]indazole-1-carboxylic acid methyl ester Formula: C23H26ClN5O3 MolecularWeight: 455.93724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C2=C(C=N1)C(=CC=C2)NC(=O)NCC3=C(C=C(C=C3)N4CCCCCC4)Cl

Isomeric SMILES

COC(=O)N1C2=C(C=N1)C(=CC=C2)NC(=O)NCC3=C(C=C(C=C3)N4CCCCCC4)Cl

InChI

InChI=1S/C23H26ClN5O3/c1-32-23(31)29-21-8-6-7-20(18(21)15-26-29)27-22(30)25-14-16-9-10-17(13-19(16)24)28-11-4-2-3-5-12-28/h6-10,13,15H,2-5,11-12,14H2,1H3,(H2,25,27,30)