2-[3-[[4-bromanyl-5-ethyl-3-[(E)-prop-1-enyl]thiophen-2-yl]methylamino]propylamino]-1H-quinolin-4-one

Systemtic Name: 2-[3-[[4-bromanyl-5-ethyl-3-[(E)-prop-1-enyl]thiophen-2-yl]methylamino]propylamino]-1H-quinolin-4-one Openeye Name: 2-[3-[[4-bromo-5-ethyl-3-[(E)-prop-1-enyl]-2-thienyl]methylamino]propylamino]-1H-quinolin-4-one CAS Name: 2-[3-[[4-bromo-5-ethyl-3-[(E)-prop-1-enyl]-2-thiophenyl]methylamino]propylamino]-1H-quinolin-4-one IUPAC Name: 2-[3-[[4-bromo-5-ethyl-3-[(E)-prop-1-enyl]thiophen-2-yl]methylamino]propylamino]-1H-quinolin-4-one Traditional Name: 2-[3-[[4-bromo-5-ethyl-3-[(E)-prop-1-enyl]-2-thienyl]methylamino]propylamino]-4-quinolone Formula: C22H26BrN3OS MolecularWeight: 460.43034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)CNCCCNC2=CC(=O)C3=CC=CC=C3N2)C=CC)Br

Isomeric SMILES

CCC1=C(C(=C(S1)CNCCCNC2=CC(=O)C3=CC=CC=C3N2)/C=C/C)Br

InChI

InChI=1S/C22H26BrN3OS/c1-3-8-16-20(28-19(4-2)22(16)23)14-24-11-7-12-25-21-13-18(27)15-9-5-6-10-17(15)26-21/h3,5-6,8-10,13,24H,4,7,11-12,14H2,1-2H3,(H2,25,26,27)/b8-3+