methyl N-methyl-N-[2-nitro-4-[3-[4-(phenylmethyl)piperidin-1-yl]prop-1-ynyl]phenyl]carbamate

Systemtic Name: methyl N-methyl-N-[2-nitro-4-[3-[4-(phenylmethyl)piperidin-1-yl]prop-1-ynyl]phenyl]carbamate Openeye Name: methyl N-[4-[3-(4-benzyl-1-piperidyl)prop-1-ynyl]-2-nitro-phenyl]-N-methyl-carbamate CAS Name: N-methyl-N-[2-nitro-4-[3-[4-(phenylmethyl)-1-piperidinyl]prop-1-ynyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-[3-(4-benzylpiperidin-1-yl)prop-1-ynyl]-2-nitrophenyl]-N-methylcarbamate Traditional Name: N-[4-[3-(4-benzylpiperidino)prop-1-ynyl]-2-nitro-phenyl]-N-methyl-carbamic acid methyl ester Formula: C24H27N3O4 MolecularWeight: 421.48888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=C1)C#CCN2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(C1=C(C=C(C=C1)C#CCN2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C24H27N3O4/c1-25(24(28)31-2)22-11-10-20(18-23(22)27(29)30)9-6-14-26-15-12-21(13-16-26)17-19-7-4-3-5-8-19/h3-5,7-8,10-11,18,21H,12-17H2,1-2H3