N-butyl-N-[2-[cyclopropyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-2-oxidanylidene-ethyl]-3-methyl-benzamide

Systemtic Name: N-butyl-N-[2-[cyclopropyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-2-oxidanylidene-ethyl]-3-methyl-benzamide Openeye Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropyl-amino]-2-oxo-ethyl]-N-butyl-3-methyl-benzamide CAS Name: N-butyl-N-[2-[cyclopropyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]-2-oxoethyl]-3-methylbenzamide IUPAC Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-butyl-3-methylbenzamide Traditional Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropyl-amino]-2-keto-ethyl]-N-butyl-3-methyl-benzamide Formula: C29H35N3O2 MolecularWeight: 457.6071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C3CC3)C(=O)C4=CC(=CC=C4)C

Isomeric SMILES

CCCCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C3CC3)C(=O)C4=CC(=CC=C4)C

InChI

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