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

Systemtic Name: N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-4-hexyl-benzamide Openeye Name: N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxo-ethyl]-4-hexyl-benzamide CAS Name: N-butyl-N-[2-[cyclopropyl-[(1-methyl-2-pyrrolyl)methyl]amino]-2-oxoethyl]-4-hexylbenzamide IUPAC Name: N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-hexylbenzamide Traditional Name: N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-keto-ethyl]-4-hexyl-benzamide Formula: C28H41N3O2 MolecularWeight: 451.64404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N(CCCC)CC(=O)N(CC2=CC=CN2C)C3CC3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N(CCCC)CC(=O)N(CC2=CC=CN2C)C3CC3

InChI

InChI=1S/C28H41N3O2/c1-4-6-8-9-11-23-13-15-24(16-14-23)28(33)30(20-7-5-2)22-27(32)31(25-17-18-25)21-26-12-10-19-29(26)3/h10,12-16,19,25H,4-9,11,17-18,20-22H2,1-3H3