N-[2-(azepan-1-yl)ethyl]-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidine-2-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-5-oxo-1-(p-tolylmethyl)pyrrolidine-2-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-1-[(4-methylphenyl)methyl]-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-5-keto-1-(4-methylbenzyl)pyrrolidine-2-carboxamide Formula: C21H31N3O2 MolecularWeight: 357.48974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(CCC2=O)C(=O)NCCN3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(CCC2=O)C(=O)NCCN3CCCCCC3

InChI

InChI=1S/C21H31N3O2/c1-17-6-8-18(9-7-17)16-24-19(10-11-20(24)25)21(26)22-12-15-23-13-4-2-3-5-14-23/h6-9,19H,2-5,10-16H2,1H3,(H,22,26)