2-isocyanato-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]-3-phenyl-propanamide

Systemtic Name: 2-isocyanato-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]-3-phenyl-propanamide Openeye Name: 2-isocyanato-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]-3-phenyl-propanamide CAS Name: 2-isocyanato-N-methyl-N-[3-(4-methyl-1-piperazinyl)propyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]-3-phenylpropanamide IUPAC Name: 2-isocyanato-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-phenylpropanamide Traditional Name: 2-isocyanato-2-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]-N-methyl-N-[3-(4-methylpiperazino)propyl]-3-phenyl-propionamide Formula: C31H41N7O3 MolecularWeight: 559.70234

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCN(C)C(=O)C(CC2=CC=CC=C2)(N=C=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

CN1CCN(CC1)CCCN(C)C(=O)C(CC2=CC=CC=C2)(N=C=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C31H41N7O3/c1-34-19-21-36(22-20-34)16-8-15-35(2)29(40)31(32-24-39,23-25-9-4-3-5-10-25)37-17-13-26(14-18-37)38-28-12-7-6-11-27(28)33-30(38)41/h3-7,9-12,26H,8,13-23H2,1-2H3,(H,33,41)