tert-butyl 4-[2-oxidanylidene-3-[(4-phenylpiperazin-1-yl)methyl]benzimidazol-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-oxidanylidene-3-[(4-phenylpiperazin-1-yl)methyl]benzimidazol-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate Openeye Name: tert-butyl 4-[2-oxo-3-[(4-phenylpiperazin-1-yl)methyl]benzimidazol-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate CAS Name: 4-[2-oxo-3-[(4-phenyl-1-piperazinyl)methyl]-1-benzimidazolyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-oxo-3-[(4-phenylpiperazin-1-yl)methyl]benzimidazol-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate Traditional Name: 4-[2-keto-3-[(4-phenylpiperazino)methyl]benzimidazol-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester Formula: C28H35N5O3 MolecularWeight: 489.6092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=CC1)N2C3=CC=CC=C3N(C2=O)CN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=CC1)N2C3=CC=CC=C3N(C2=O)CN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H35N5O3/c1-28(2,3)36-27(35)31-15-13-23(14-16-31)33-25-12-8-7-11-24(25)32(26(33)34)21-29-17-19-30(20-18-29)22-9-5-4-6-10-22/h4-13H,14-21H2,1-3H3