4-bromanyl-N-[3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-bromo-N-[3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-3-oxo-propyl]benzamide CAS Name: 4-bromo-N-[3-[[4-(1-imidazolylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide IUPAC Name: 4-bromo-N-[3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide Traditional Name: 4-bromo-N-[3-[[4-(imidazol-1-ylmethyl)benzyl]amino]-3-keto-propyl]benzamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCNC(=O)C2=CC=C(C=C2)Br)CN3C=CN=C3

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCNC(=O)C2=CC=C(C=C2)Br)CN3C=CN=C3

InChI

InChI=1S/C21H21BrN4O2/c22-19-7-5-18(6-8-19)21(28)24-10-9-20(27)25-13-16-1-3-17(4-2-16)14-26-12-11-23-15-26/h1-8,11-12,15H,9-10,13-14H2,(H,24,28)(H,25,27)