butyl 2-[[(2S)-2-butyl-4-naphthalen-1-ylcarbonyl-piperazin-1-yl]methyl]aziridine-1-carboxylate

Systemtic Name: butyl 2-[[(2S)-2-butyl-4-naphthalen-1-ylcarbonyl-piperazin-1-yl]methyl]aziridine-1-carboxylate Openeye Name: butyl 2-[[(2S)-2-butyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]methyl]aziridine-1-carboxylate CAS Name: 2-[[(2S)-2-butyl-4-[1-naphthalenyl(oxo)methyl]-1-piperazinyl]methyl]-1-aziridinecarboxylic acid butyl ester IUPAC Name: butyl 2-[[(2S)-2-butyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]methyl]aziridine-1-carboxylate Traditional Name: 2-[[(2S)-2-butyl-4-(1-naphthoyl)piperazino]methyl]ethylenimine-1-carboxylic acid butyl ester Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1CC2CN2C(=O)OCCCC)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCC[C@H]1CN(CCN1CC2CN2C(=O)OCCCC)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H37N3O3/c1-3-5-12-22-18-29(26(31)25-14-9-11-21-10-7-8-13-24(21)25)16-15-28(22)19-23-20-30(23)27(32)33-17-6-4-2/h7-11,13-14,22-23H,3-6,12,15-20H2,1-2H3/t22-,23?,30?/m0/s1