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

Systemtic Name: 4-butyl-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-butyl-benzamide CAS Name: 4-butyl-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-butyl-N-prop-2-enylbenzamide Traditional Name: N-allyl-N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-keto-ethyl]-4-butyl-benzamide Formula: C29H35N3O2 MolecularWeight: 457.6071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(CC=C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CN3C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CC=C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CN3C

InChI

InChI=1S/C29H35N3O2/c1-4-6-11-24-15-17-26(18-16-24)29(34)31(19-5-2)23-28(33)32(21-25-12-8-7-9-13-25)22-27-14-10-20-30(27)3/h5,7-10,12-18,20H,2,4,6,11,19,21-23H2,1,3H3