N-(2-azanylethyl)-1-(3-bromophenyl)carbonyl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3-bromophenyl)carbonyl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-4-(4-pyridylmethyl)piperazine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-bromophenyl)-oxomethyl]-4-(pyridin-4-ylmethyl)-2-piperazinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-4-(4-pyridylmethyl)piperazine-2-carboxamide Formula: C20H24BrN5O2 MolecularWeight: 446.34086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=NC=C2)C(=O)NCCN)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(C(CN1CC2=CC=NC=C2)C(=O)NCCN)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H24BrN5O2/c21-17-3-1-2-16(12-17)20(28)26-11-10-25(13-15-4-7-23-8-5-15)14-18(26)19(27)24-9-6-22/h1-5,7-8,12,18H,6,9-11,13-14,22H2,(H,24,27)