methyl 2-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-3-methyl-butanoate Openeye Name: methyl 2-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-3-methyl-butanoate CAS Name: 2-[[[3-chloro-4-(4-ethyl-1-piperazinyl)anilino]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-3-methylbutanoate Traditional Name: 2-[[3-chloro-4-(4-ethylpiperazino)phenyl]carbamoylamino]-3-methyl-butyric acid methyl ester Formula: C19H29ClN4O3 MolecularWeight: 396.91156

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NC(C(C)C)C(=O)OC)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NC(C(C)C)C(=O)OC)Cl

InChI

InChI=1S/C19H29ClN4O3/c1-5-23-8-10-24(11-9-23)16-7-6-14(12-15(16)20)21-19(26)22-17(13(2)3)18(25)27-4/h6-7,12-13,17H,5,8-11H2,1-4H3,(H2,21,22,26)