methyl 2-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-methyl-pentanoate CAS Name: 2-[[[3-chloro-4-(4-methyl-1-piperazinyl)anilino]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-methylpentanoate Traditional Name: 2-[[3-chloro-4-(4-methylpiperazino)phenyl]carbamoylamino]-3-methyl-valeric acid methyl ester Formula: C19H29ClN4O3 MolecularWeight: 396.91156

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C)Cl

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C)Cl

InChI

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