4-hexyl-N-[2-[(1-methylpyrrol-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-prop-2-enyl-benzamide

Systemtic Name: 4-hexyl-N-[2-[(1-methylpyrrol-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxo-ethyl]-4-hexyl-benzamide CAS Name: 4-hexyl-N-[2-[(1-methyl-2-pyrrolyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-N-prop-2-enylbenzamide IUPAC Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-hexyl-N-prop-2-enylbenzamide Traditional Name: N-allyl-N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-keto-ethyl]-4-hexyl-benzamide Formula: C31H39N3O2 MolecularWeight: 485.66026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N(CC=C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CN3C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N(CC=C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CN3C

InChI

InChI=1S/C31H39N3O2/c1-4-6-7-9-13-26-17-19-28(20-18-26)31(36)33(21-5-2)25-30(35)34(23-27-14-10-8-11-15-27)24-29-16-12-22-32(29)3/h5,8,10-12,14-20,22H,2,4,6-7,9,13,21,23-25H2,1,3H3