N-(2-methylpropyl)-N-[2-[(1-methylpyrrol-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-4-pentyl-benzamide

Systemtic Name: N-(2-methylpropyl)-N-[2-[(1-methylpyrrol-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-4-pentyl-benzamide Openeye Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxo-ethyl]-N-isobutyl-4-pentyl-benzamide CAS Name: N-(2-methylpropyl)-N-[2-[(1-methyl-2-pyrrolyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-4-pentylbenzamide IUPAC Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-4-pentylbenzamide Traditional Name: 4-amyl-N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-keto-ethyl]-N-isobutyl-benzamide Formula: C31H41N3O2 MolecularWeight: 487.67614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CC(C)C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CN3C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CC(C)C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CN3C

InChI

InChI=1S/C31H41N3O2/c1-5-6-8-12-26-16-18-28(19-17-26)31(36)34(21-25(2)3)24-30(35)33(22-27-13-9-7-10-14-27)23-29-15-11-20-32(29)4/h7,9-11,13-20,25H,5-6,8,12,21-24H2,1-4H3