2-[(4-bromophenyl)carbamoyl-prop-2-enyl-amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]ethanamide

Systemtic Name: 2-[(4-bromophenyl)carbamoyl-prop-2-enyl-amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]ethanamide Openeye Name: 2-[allyl-[(4-bromophenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: 2-[[(4-bromoanilino)-oxomethyl]-prop-2-enylamino]-N-cyclopropyl-N-[(1-methyl-2-pyrrolyl)methyl]acetamide IUPAC Name: 2-[(4-bromophenyl)carbamoyl-prop-2-enylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: 2-[allyl-[(4-bromophenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C21H25BrN4O2 MolecularWeight: 445.3528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(C2CC2)C(=O)CN(CC=C)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CN1C=CC=C1CN(C2CC2)C(=O)CN(CC=C)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN4O2/c1-3-12-25(21(28)23-17-8-6-16(22)7-9-17)15-20(27)26(18-10-11-18)14-19-5-4-13-24(19)2/h3-9,13,18H,1,10-12,14-15H2,2H3,(H,23,28)