3-bromanyl-N-[2-[2-methoxyethyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-2-oxidanylidene-ethyl]-N-prop-2-enyl-benzamide

Systemtic Name: 3-bromanyl-N-[2-[2-methoxyethyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-2-oxidanylidene-ethyl]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[2-[(1-benzylpyrrol-2-yl)methyl-(2-methoxyethyl)amino]-2-oxo-ethyl]-3-bromo-benzamide CAS Name: 3-bromo-N-[2-[2-methoxyethyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide IUPAC Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-3-bromo-N-prop-2-enylbenzamide Traditional Name: N-allyl-N-[2-[(1-benzylpyrrol-2-yl)methyl-(2-methoxyethyl)amino]-2-keto-ethyl]-3-bromo-benzamide Formula: C27H30BrN3O3 MolecularWeight: 524.4494

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC=CN1CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

COCCN(CC1=CC=CN1CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C27H30BrN3O3/c1-3-14-31(27(33)23-11-7-12-24(28)18-23)21-26(32)30(16-17-34-2)20-25-13-8-15-29(25)19-22-9-5-4-6-10-22/h3-13,15,18H,1,14,16-17,19-21H2,2H3