methyl 3-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methylcarbamoyl]cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: methyl 3-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methylcarbamoyl]cyclohexa-1,5-diene-1-carboxylate Openeye Name: methyl 3-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methylcarbamoyl]cyclohexa-1,5-diene-1-carboxylate CAS Name: 3-[oxo-[[3-[3-(1-piperazinylmethyl)phenyl]phenyl]methylamino]methyl]-1-cyclohexa-1,5-dienecarboxylic acid methyl ester IUPAC Name: methyl 3-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methylcarbamoyl]cyclohexa-1,5-diene-1-carboxylate Traditional Name: 3-[[3-[3-(piperazinomethyl)phenyl]benzyl]carbamoyl]cyclohexa-1,5-diene-1-carboxylic acid methyl ester Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(CC=C1)C(=O)NCC2=CC=CC(=C2)C3=CC(=CC=C3)CN4CCNCC4

Isomeric SMILES

COC(=O)C1=CC(CC=C1)C(=O)NCC2=CC=CC(=C2)C3=CC(=CC=C3)CN4CCNCC4

InChI

InChI=1S/C27H31N3O3/c1-33-27(32)25-10-4-9-24(17-25)26(31)29-18-20-5-2-7-22(15-20)23-8-3-6-21(16-23)19-30-13-11-28-12-14-30/h2-8,10,15-17,24,28H,9,11-14,18-19H2,1H3,(H,29,31)