methyl N-[N-methoxycarbonyl-N'-[3-(4-phenylpiperazin-1-yl)propyl]carbamimidoyl]carbamate

Systemtic Name: methyl N-[N-methoxycarbonyl-N'-[3-(4-phenylpiperazin-1-yl)propyl]carbamimidoyl]carbamate Openeye Name: methyl N-[N-methoxycarbonyl-N'-[3-(4-phenylpiperazin-1-yl)propyl]carbamimidoyl]carbamate CAS Name: N-[(methoxycarbonylamino)-[3-(4-phenyl-1-piperazinyl)propylimino]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[N-methoxycarbonyl-N'-[3-(4-phenylpiperazin-1-yl)propyl]carbamimidoyl]carbamate Traditional Name: N-[N-carbomethoxy-N'-[3-(4-phenylpiperazino)propyl]amidino]carbamic acid methyl ester Formula: C18H27N5O4 MolecularWeight: 377.43808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=NCCCN1CCN(CC1)C2=CC=CC=C2)NC(=O)OC

Isomeric SMILES

COC(=O)NC(=NCCCN1CCN(CC1)C2=CC=CC=C2)NC(=O)OC

InChI

InChI=1S/C18H27N5O4/c1-26-17(24)20-16(21-18(25)27-2)19-9-6-10-22-11-13-23(14-12-22)15-7-4-3-5-8-15/h3-5,7-8H,6,9-14H2,1-2H3,(H2,19,20,21,24,25)