2-[3-[[3,4-bis(bromanyl)-5-methyl-1H-pyrrol-2-yl]methylamino]propylamino]-1H-quinolin-4-one

Systemtic Name: 2-[3-[[3,4-bis(bromanyl)-5-methyl-1H-pyrrol-2-yl]methylamino]propylamino]-1H-quinolin-4-one Openeye Name: 2-[3-[(3,4-dibromo-5-methyl-1H-pyrrol-2-yl)methylamino]propylamino]-1H-quinolin-4-one CAS Name: 2-[3-[(3,4-dibromo-5-methyl-1H-pyrrol-2-yl)methylamino]propylamino]-1H-quinolin-4-one IUPAC Name: 2-[3-[(3,4-dibromo-5-methyl-1H-pyrrol-2-yl)methylamino]propylamino]-1H-quinolin-4-one Traditional Name: 2-[3-[(3,4-dibromo-5-methyl-1H-pyrrol-2-yl)methylamino]propylamino]-4-quinolone Formula: C18H20Br2N4O MolecularWeight: 468.1856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)CNCCCNC2=CC(=O)C3=CC=CC=C3N2)Br)Br

Isomeric SMILES

CC1=C(C(=C(N1)CNCCCNC2=CC(=O)C3=CC=CC=C3N2)Br)Br

InChI

InChI=1S/C18H20Br2N4O/c1-11-17(19)18(20)14(23-11)10-21-7-4-8-22-16-9-15(25)12-5-2-3-6-13(12)24-16/h2-3,5-6,9,21,23H,4,7-8,10H2,1H3,(H2,22,24,25)