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

Systemtic Name: N-butyl-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-butyl-4-pentyl-benzamide CAS Name: N-butyl-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-butyl-4-pentylbenzamide Traditional Name: 4-amyl-N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-keto-ethyl]-N-butyl-benzamide Formula: C31H41N3O2 MolecularWeight: 487.67614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H41N3O2/c1-4-6-9-13-26-17-19-28(20-18-26)31(36)33(22-7-5-2)25-30(35)34(23-27-14-10-8-11-15-27)24-29-16-12-21-32(29)3/h8,10-12,14-21H,4-7,9,13,22-25H2,1-3H3