N-cyclopropyl-N-[2-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl]pentanamide

Systemtic Name: N-cyclopropyl-N-[2-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl]pentanamide Openeye Name: N-[2-[allyl-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]amino]-2-oxo-ethyl]-N-cyclopropyl-pentanamide CAS Name: N-cyclopropyl-N-[2-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl-prop-2-enylamino]-2-oxoethyl]pentanamide IUPAC Name: N-cyclopropyl-N-[2-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylamino]-2-oxoethyl]pentanamide Traditional Name: N-[2-[allyl-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]amino]-2-keto-ethyl]-N-cyclopropyl-valeramide Formula: C26H35N3O2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC(=O)N(CC=C)CC1=CC=CN1CC2=CC=CC=C2C)C3CC3

Isomeric SMILES

CCCCC(=O)N(CC(=O)N(CC=C)CC1=CC=CN1CC2=CC=CC=C2C)C3CC3

InChI

InChI=1S/C26H35N3O2/c1-4-6-13-25(30)29(23-14-15-23)20-26(31)28(16-5-2)19-24-12-9-17-27(24)18-22-11-8-7-10-21(22)3/h5,7-12,17,23H,2,4,6,13-16,18-20H2,1,3H3