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

Systemtic Name: N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-4-hexyl-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxo-ethyl]-4-hexyl-benzamide CAS Name: N-[2-[cyclopropyl-[(1-methyl-2-pyrrolyl)methyl]amino]-2-oxoethyl]-4-hexyl-N-prop-2-enylbenzamide IUPAC Name: N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-hexyl-N-prop-2-enylbenzamide Traditional Name: N-allyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-keto-ethyl]-4-hexyl-benzamide Formula: C27H37N3O2 MolecularWeight: 435.60158

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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=CN2C)C3CC3

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O2/c1-4-6-7-8-10-22-12-14-23(15-13-22)27(32)29(18-5-2)21-26(31)30(24-16-17-24)20-25-11-9-19-28(25)3/h5,9,11-15,19,24H,2,4,6-8,10,16-18,20-21H2,1,3H3