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4-phenylbutyl 2-(cyclohexylcarbamoyl)-1,2-diazinane-3-carboxylate

4-phenylbutyl 2-(cyclohexylcarbamoyl)-1,2-diazinane-3-carboxylate

Systemtic Name:4-phenylbutyl 2-(cyclohexylcarbamoyl)-1,2-diazinane-3-carboxylate
Openeye Name:4-phenylbutyl 2-(cyclohexylcarbamoyl)hexahydropyridazine-3-carboxylate
CAS Name:2-[(cyclohexylamino)-oxomethyl]-3-diazinanecarboxylic acid 4-phenylbutyl ester
IUPAC Name:4-phenylbutyl 2-(cyclohexylcarbamoyl)diazinane-3-carboxylate
Traditional Name:2-(cyclohexylcarbamoyl)hexahydropyridazine-3-carboxylic acid 4-phenylbutyl ester
Formula: C22H33N3O3
MolecularWeight: 387.51572
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2C(CCCN2)C(=O)OCCCCC3=CC=CC=C3


Isomeric SMILES

C1CCC(CC1)NC(=O)N2C(CCCN2)C(=O)OCCCCC3=CC=CC=C3


InChI

InChI=1S/C22H33N3O3/c26-21(28-17-8-7-12-18-10-3-1-4-11-18)20-15-9-16-23-25(20)22(27)24-19-13-5-2-6-14-19/h1,3-4,10-11,19-20,23H,2,5-9,12-17H2,(H,24,27)


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